CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)		kJ mol^-1	webbook
Hfg(0K)	-281.83	kJ mol^-1	webbook
Entropy (298.15K)		J K^-1 mol^-1
Integrated Heat Capacity (0 to 298.15K)		kJ mol^-1

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCH	1.090	0.015	1	3			1981Kro/Nix:367	cis
rCH	1.090	0.015	1	4			1981Kro/Nix:367	trans
rCP	1.673	0.002	1	2			1981Kro/Nix:367
rPH	1.420	0.006	2	5			1981Kro/Nix:367
aHCP	124.4	0.8	2	1	3		1981Kro/Nix:367	cis H
aHCP	118.4	1.2	2	1	4		1981Kro/Nix:367	trans H
aHCH	117.2	1.2	3	1	4		1981Kro/Nix:367
aHPC	97.4	0.4	1	2	5		1981Kro/Nix:367
dHCPH	0		3	1	2	5	1981Kro/Nix:367

Bond Type	Count
H-C	2
H-P	1
C=P	1

Atom 1	Atom 2
C1	P2
C1	H3
C1	H4
P2	H5

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				0.869	1981Kro/Nix:367	μ_a=0.731, μ_b=0.470	C_s	2	3

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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squib	reference	DOI
1981Kro/Nix:367	HW Kroto, JF Nixon, K Ohno "THE MICROWAVE-SPECTRUM, STRUCTURE, AND DIPOLE-MOMENT OF THE UNSTABLE MOLECULE PHOSPHAETHENE, CH2=PH" J. Mol. Spect. 90(2) 367-373, 1981	10.1016/0022-2852(81)90134-X
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for CH2PH (Phosphaethene)

Experimental data for CH₂PH (Phosphaethene)