Chemical Properties of o,o'-Dipropyl allyl phosphonothioate (CAS 77659-29-1)

InChI

InChI=1S/C9H19O2PS/c1-4-7-10-12(13,9-6-3)11-8-5-2/h6H,3-5,7-9H2,1-2H3

InChI Key

IGDFSGPDLZOZPR-UHFFFAOYSA-N

Formula

C9H19O2PS

SMILES

C=CCP(=S)(OCCC)OCCC

Molecular Weight¹

222.28

CAS

77659-29-1

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4529		Relay (1.0) Calculated Property
ΔfG°	-120.17	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-409.89	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	70.54	kJ/mol	Relay (1.0) Calculated Property
IE	[8.50; 8.86]	eV
IE	8.50	eV	NIST
IE	8.86	eV	NIST
log10WS	-3.64		Relay (1.0) Calculated Property
logPoct/wat	3.335		Crippen Calculated Property
McVol	181.920	ml/mol	McGowan Calculated Property
Pc	2172.29	kPa	Relay (1.0-beta) Calculated Property
Tboil	533.25	K	Relay (1.0) Calculated Property
Tc	700.53	K	Relay (1.0) Calculated Property
Tfus	179.41	K	Relay (1.0) Calculated Property
Vc	0.629	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to o,o'-Dipropyl allyl phosphonothioate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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