CCCBDB listing of experimental data page 2

Other names
tms; Silane, tetramethyl-; Silicon, tetramethyl-; Tetramethylsilicane; tetramethylsilane;

INChI	INChIKey	SMILES	IUPAC name
InChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3	CZDYPVPMEAXLPK-UHFFFAOYSA-N	C[Si](C)(C)C	tetramethylsilane

State	Conformation
¹A₁	TD

Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)

Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-229.00	3.00	kJ mol^-1	1998Rap/Ape
Hfg(0K)		3.00	kJ mol^-1	1998Rap/Ape
Entropy (298.15K)	361.12		J K^-1 mol^-1	webbook

Information can also be found for this species in the NIST Chemistry Webbook

Vibrational levels (cm^-1) vibrations

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description

Calculated vibrational frequencies for Si(CH₃)₄ (tetramethylsilane).

Rotational Constants (cm^-1)

See section I.F.4 to change rotational constant units

A	B	C	reference	comment
0.10409	0.10409	0.10409		from coordinates

Calculated rotational constants for Si(CH₃)₄ (tetramethylsilane).

Product of moments of inertia
4248017	amu³Å⁶		1.9451548609038E-113	gm³ cm⁶

Geometric Data
picture of tetramethylsilane

Point Group T_d

Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCH	1.115	7.000	2	6			1976Hellwege(II/7)	ED
rSiC	1.875	0.002	1	2			1976Hellwege(II/7)	ED
aHCH	109.8		6	2	7		1976Hellwege(II/7)
aHCSi	109.2		1	2	6		1976Hellwege(II/7)	ED

Cartesians

Atom	x (Å)	y (Å)	z (Å)
Si1	0.0000	0.0000	0.0000
C2	1.0825	1.0825	1.0825
C3	-1.0825	-1.0825	1.0825
C4	-1.0825	1.0825	-1.0825
C5	1.0825	-1.0825	-1.0825
H6	1.7241	0.4345	1.7241
H7	1.7241	1.7241	0.4345
H8	0.4345	1.7241	1.7241
H9	-1.7241	-1.7241	0.4345
H10	-0.4345	-1.7241	1.7241
H11	-1.7241	-0.4345	1.7241
H12	-1.7241	0.4345	-1.7241
H13	-1.7241	1.7241	-0.4345
H14	-0.4345	1.7241	-1.7241
H15	1.7241	-1.7241	-0.4345
H16	0.4345	-1.7241	-1.7241
H17	1.7241	-0.4345	-1.7241

Atom - Atom Distances bond lengths

Distances in Å

	Si1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16	H17
Si1		1.8750	1.8750	1.8750	1.8750	2.4767	2.4767	2.4767	2.4767	2.4767	2.4767	2.4767	2.4767	2.4767	2.4767	2.4767	2.4767
C2	1.8750		3.0619	3.0619	3.0619	1.1150	1.1150	1.1150	4.0218	3.2543	3.2543	4.0218	3.2543	3.2543	3.2543	4.0218	3.2543
C3	1.8750	3.0619		3.0619	3.0619	3.2543	4.0218	3.2543	1.1150	1.1150	1.1150	3.2543	3.2543	4.0218	3.2543	3.2543	4.0218
C4	1.8750	3.0619	3.0619		3.0619	4.0218	3.2543	3.2543	3.2543	4.0218	3.2543	1.1150	1.1150	1.1150	4.0218	3.2543	3.2543
C5	1.8750	3.0619	3.0619	3.0619		3.2543	3.2543	4.0218	3.2543	3.2543	4.0218	3.2543	4.0218	3.2543	1.1150	1.1150	1.1150
H6	2.4767	1.1150	3.2543	4.0218	3.2543		1.8238	1.8238	4.2677	3.0527	3.5560	4.8765	4.2677	4.2677	3.0527	4.2677	3.5560
H7	2.4767	1.1150	4.0218	3.2543	3.2543	1.8238		1.8238	4.8765	4.2677	4.2677	4.2677	3.5560	3.0527	3.5560	4.2677	3.0527
H8	2.4767	1.1150	3.2543	3.2543	4.0218	1.8238	1.8238		4.2677	3.5560	3.0527	4.2677	3.0527	3.5560	4.2677	4.8765	4.2677
H9	2.4767	4.0218	1.1150	3.2543	3.2543	4.2677	4.8765	4.2677		1.8238	1.8238	3.0527	3.5560	4.2677	3.5560	3.0527	4.2677
H10	2.4767	3.2543	1.1150	4.0218	3.2543	3.0527	4.2677	3.5560	1.8238		1.8238	4.2677	4.2677	4.8765	3.0527	3.5560	4.2677
H11	2.4767	3.2543	1.1150	3.2543	4.0218	3.5560	4.2677	3.0527	1.8238	1.8238		3.5560	3.0527	4.2677	4.2677	4.2677	4.8765
H12	2.4767	4.0218	3.2543	1.1150	3.2543	4.8765	4.2677	4.2677	3.0527	4.2677	3.5560		1.8238	1.8238	4.2677	3.0527	3.5560
H13	2.4767	3.2543	3.2543	1.1150	4.0218	4.2677	3.5560	3.0527	3.5560	4.2677	3.0527	1.8238		1.8238	4.8765	4.2677	4.2677
H14	2.4767	3.2543	4.0218	1.1150	3.2543	4.2677	3.0527	3.5560	4.2677	4.8765	4.2677	1.8238	1.8238		4.2677	3.5560	3.0527
H15	2.4767	3.2543	3.2543	4.0218	1.1150	3.0527	3.5560	4.2677	3.5560	3.0527	4.2677	4.2677	4.8765	4.2677		1.8238	1.8238
H16	2.4767	4.0218	3.2543	3.2543	1.1150	4.2677	4.2677	4.8765	3.0527	3.5560	4.2677	3.0527	4.2677	3.5560	1.8238		1.8238
H17	2.4767	3.2543	4.0218	3.2543	1.1150	3.5560	3.0527	4.2677	4.2677	4.2677	4.8765	3.5560	4.2677	3.0527	1.8238	1.8238

Calculated geometries for Si(CH₃)₄ (tetramethylsilane).

Experimental Bond Angles (degrees) from cartesians

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Si1	C2	H6	109.200	Si1	C2	H7	109.200
Si1	C2	H8	109.200	Si1	C3	H9	109.200
Si1	C3	H10	109.200	Si1	C3	H11	109.200
Si1	C4	H12	109.200	Si1	C4	H13	109.200
Si1	C4	H14	109.200	Si1	C5	H15	109.200
Si1	C5	H16	109.200	Si1	C5	H17	109.200
C2	Si1	C3	109.471	C2	Si1	C4	109.471
C2	Si1	C5	109.471	C3	Si1	C4	109.471
C3	Si1	C5	109.471	C4	Si1	C5	109.471
H6	C2	H7	109.741	H6	C2	H8	109.741
H7	C2	H8	109.741	H9	C3	H10	109.741
H9	C3	H11	109.741	H10	C3	H11	109.741
H12	C4	H13	109.741	H12	C4	H14	109.741
H13	C4	H14	109.741	H15	C5	H16	109.741
H15	C5	H17	109.741	H16	C5	H17	109.741

Bond descriptions

Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond

Bond Type	Count
C-Si	4
H-C	12

Connectivity

Atom 1	Atom 2
Si1	C2
Si1	C3
Si1	C4
Si1	C5
C2	H6
C2	H7
C2	H8
C3	H9
C3	H10
C3	H11
C4	H12
C4	H13
C4	H14
C5	H15
C5	H16
C5	H17

Electronic energy levels (cm^-1)

Energy (cm^-1)	Degeneracy	reference	description
0	1		¹A₁

Ionization Energies (eV)

Ionization Energy	I.E. unc.	vertical I.E.	v.I.E. unc.	reference
9.800	0.040			webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment dipole

State	Config	State description	Conf description	Exp. min.	Dipole (Debye)				Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	x	y	z	total	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A₁	T_d	True	0.000	0.000	0.000	0.000		by symmetry	T_d	0	0

Experimental dipole measurement abbreviations: MW microwave; DT Dielectric with Temperature variation; DR Indirect (usually an upper limit); MB Molecular beam
Calculated electric dipole moments for Si(CH₃)₄ (tetramethylsilane).
Electric quadrupole moment

State	Config	State description	Conf description	Exp. min.	Quadrupole (D Å)			Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	xx	yy	zz	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A₁	T_d	True	0.000	0.000	0.000		by symmetry	T_d	0	0

Calculated electric quadrupole moments for Si(CH₃)₄ (tetramethylsilane).

References
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squib	reference	DOI
1976Hellwege(II/7)	Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.
1998Rap/Ape	Z Rappoprt, Y Apeloig, "The chemistry of organic silicon compounds Volume 2 Part 1" Chapter 4, Wiley	10.1021/ja985767u
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Atom 1	Atom 2
Si1	C2
Si1	C3
Si1	C4
Si1	C5
C2	H6
C2	H7
C2	H8
C3	H9
C3	H10
C3	H11
C4	H12
C4	H13
C4	H14
C5	H15
C5	H16
C5	H17

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Atom 1	Atom 2
Si1	C2
Si1	C3
Si1	C4
Si1	C5
C2	H6
C2	H7
C2	H8
C3	H9
C3	H10
C3	H11
C4	H12
C4	H13
C4	H14
C5	H15
C5	H16
C5	H17

Experimental data for Si(CH3)4 (tetramethylsilane)

Experimental data for Si(CH₃)₄ (tetramethylsilane)

Atom 1	Atom 2
Si1	C2
Si1	C3
Si1	C4
Si1	C5
C2	H6
C2	H7
C2	H8
C3	H9
C3	H10
C3	H11
C4	H12
C4	H13
C4	H14
C5	H15
C5	H16
C5	H17