CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	-216.50	kJ mol^-1	TRC
Hfg(0K)	-193.60	kJ mol^-1	TRC
Entropy (298.15K)	309.25	J K^-1 mol^-1	TRC
Integrated Heat Capacity (0 to 298.15K)	18.47	kJ mol^-1	TRC
Heat Capacity (298.15K)	93.30	J K^-1 mol^-1	webbook

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
1	A'	2995		2002Dur/Jin:1
2	A'	2968
3	A'	2954
4	A'	2835
5	A'	2869
6	A'	1492
7	A'	1481
8	A'	1473						from solid
9	A'	1448
10	A'	1396
11	A'	1368
12	A'	1214
13	A'	1135
14	A'	1100
15	A'	1020
16	A'	858
17	A'	475
18	A'	288
19	A"	2981
20	A"	2935
21	A"	2893
22	A"	1464
23	A"	1456
24	A"	1277
25	A"	1175
26	A"	1148						from solid
27	A"	818						from solid
28	A"	278						from solid
29	A"	248
30	A"	115

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCO	1.415	0.005	1	2			2002Dur/Jin:1	to methyl
rCO	1.407	0.004	2	3			2002Dur/Jin:1	ethyl
rCC	1.521	0.007	3	4			2002Dur/Jin:1
rCH	1.086	0.010	1	5			2002Dur/Jin:1	methyl in plane
rCH	1.099	0.007	1	6			2002Dur/Jin:1	methyl out of place
rCH	1.100	0.003	3	8			2002Dur/Jin:1	ethyl inner C
rCH	1.089	0.008	4	10			2002Dur/Jin:1	ethyl outer C in plane
rCH	1.092	0.007	4	11			2002Dur/Jin:1	ethyl outer C out of plane
aCOC	111.7	0.47	1	2	3		2002Dur/Jin:1
aCCO	108.15	0.38	2	3	4		2002Dur/Jin:1
aHCO	107.48	0.57	2	1	5		2002Dur/Jin:1	methyl in-plane
aHCO	111.05	0.5	2	1	6		2002Dur/Jin:1	methyl out-of-plane
aHCH	108.57	0.62	6	1	7		2002Dur/Jin:1	methyl out-of-plane
aHCO	110.32	0.47	2	3	8		2002Dur/Jin:1	ethyl inner H
aHCC	110.25	0.87	4	3	8		2002Dur/Jin:1
aHCH	107.4	0.28	8	3	9		2002Dur/Jin:1
aHCC	110.5	0.63	3	4	10		2002Dur/Jin:1	ethyl end C in-plane H
aHCC	110.13	0.57	3	4	11		2002Dur/Jin:1	ethyl end C out-of-plane H
aHCH	108.63	0.6	11	4	12		2002Dur/Jin:1	ethyl end C out-of-plane H
dCCOC	180		1	2	3	4	2002Dur/Jin:1
dHCOC	180		3	2	1	5	2002Dur/Jin:1
dHCCO	180		2	3	4	10	2002Dur/Jin:1

Bond Type	Count
H-C	8
C-C	1
C-O	2

Atom 1	Atom 2
C1	O2
C1	H5
C1	H6
C1	H7
O2	C3
C3	C4
C3	H8
C3	H9
C4	H10
C4	H11
C4	H12

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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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	¹A^'	C_s	True	0.146	1.165	0.000	1.174	2002Dur/Jin:1		C_s	2	3

squib	reference	DOI
2002Dur/Jin:1	JR Durig, Y Jin, HV Phan, J Liu, DT Durig "Far-Infrared Spectra, Conformational Stability, Barriers to Internal Rotation, Ab Initio Calculations, r0 Structural Parameters, and Vibrational Assignment of Ethyl Methyl Ether" Structural Chemistry, 13(1) 2002, 1	10.1023/A:1013410428690
TRC	Frenkel, M; Marsh, K.N.; Wilhoit, R.C.; Kabo, G.J.; Roganov, G.N.,Thermodynamics of Organic Compounds in the Gas State,Thermodynamics Research Center, College Station, TX, 1994
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for CH3OC2H5 (Ethane, methoxy-)

Experimental data for CH₃OC₂H₅ (Ethane, methoxy-)