Chemical Properties of Thiophosphoryl chloride

InChI

InChI=1S/Cl3PS/c1-4(2,3)5

InChI Key

WQYSXVGEZYESBR-UHFFFAOYSA-N

Formula

Cl3PS

SMILES

S=P(Cl)(Cl)Cl

Molecular Weight¹

169.40

Other Names

• thiophosphoryl trichloride

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	[9.71; 10.15]	eV
IE	9.71 ± 0.03	eV	NIST
IE	9.71 ± 0.00	eV	NIST
IE	10.15	eV	NIST
IE	10.15	eV	NIST
IE	10.11	eV	NIST
IE	10.13 ± 0.03	eV	NIST
logPoct/wat	2.927		Crippen Calculated Property
McVol	84.390	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[89.42; 108.19]	J/mol×K	[298.00; 6000.00]	NIST
Equation			Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.05484e+02
Coefficient B			2.20476e+00
Coefficient C			-5.94785e-01
Coefficient D			5.06160e-02
Coefficient E			-1.48001e+00
Reference			Chase, 1998
Comment			F=-417.2494, G=455.9514, H=-380.7444; Data last reviewed in September, 1962
Temperature range, min.			298.00
Temperature range, max.			6000.00
Cp,gas	89.42	J/mol×K	298.00	Calculated Property
Cp,gas	105.36	J/mol×K	931.56	Calculated Property
Cp,gas	107.07	J/mol×K	1565.11	Calculated Property
Cp,gas	107.69	J/mol×K	2198.67	Calculated Property
Cp,gas	107.92	J/mol×K	2832.22	Calculated Property
Cp,gas	107.96	J/mol×K	3465.78	Calculated Property
Cp,gas	107.93	J/mol×K	4099.33	Calculated Property
Cp,gas	107.90	J/mol×K	4732.89	Calculated Property
Cp,gas	107.96	J/mol×K	5366.44	Calculated Property
Cp,gas	108.19	J/mol×K	6000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 101.08]	kPa	[254.90; 397.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.46370e+01
Coefficient B			-3.57782e+03
Coefficient C			-3.99720e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			254.90
Temperature range, max.			397.00
Pvap	0.13	kPa	254.90	Calculated Property
Pvap	0.42	kPa	270.69	Calculated Property
Pvap	1.13	kPa	286.48	Calculated Property
Pvap	2.71	kPa	302.27	Calculated Property
Pvap	5.88	kPa	318.06	Calculated Property
Pvap	11.73	kPa	333.84	Calculated Property
Pvap	21.82	kPa	349.63	Calculated Property
Pvap	38.23	kPa	365.42	Calculated Property
Pvap	63.58	kPa	381.21	Calculated Property
Pvap	101.08	kPa	397.00	Calculated Property

Similar Compounds

Find more compounds similar to Thiophosphoryl chloride.

Sources

• 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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