Chemical Properties of Phenylthioacetic acid, 4-chlorophenyl ester

InChI

InChI=1S/C14H11ClO2S/c15-11-6-8-12(9-7-11)17-14(16)10-18-13-4-2-1-3-5-13/h1-9H,10H2

InChI Key

RODRARCUWYZGJA-UHFFFAOYSA-N

Formula

C14H11ClO2S

SMILES

O=C(CSc1ccccc1)Oc1ccc(Cl)cc1

Molecular Weight¹

278.75

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• I_np : Non-polar retention indices.
• 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
ΔfG°	69.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-89.37	kJ/mol	Joback Calculated Property
ΔfusH°	30.82	kJ/mol	Joback Calculated Property
ΔvapH°	72.33	kJ/mol	Joback Calculated Property
log10WS	-4.44		Crippen Calculated Property
logPoct/wat	4.038		Crippen Calculated Property
McVol	196.630	ml/mol	McGowan Calculated Property
Pc	2802.44	kPa	Joback Calculated Property
Inp	[2150.00; 2150.00]
Inp	2150.00		NIST
Inp	2150.00		NIST
Tboil	760.56	K	Joback Calculated Property
Tc	1022.16	K	Joback Calculated Property
Tfus	449.38	K	Joback Calculated Property
Vc	0.731	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[488.67; 547.22]	J/mol×K	[760.56; 1022.16]
Cp,gas	488.67	J/mol×K	760.56	Joback Calculated Property
Cp,gas	501.54	J/mol×K	804.16	Joback Calculated Property
Cp,gas	513.10	J/mol×K	847.76	Joback Calculated Property
Cp,gas	523.40	J/mol×K	891.36	Joback Calculated Property
Cp,gas	532.48	J/mol×K	934.96	Joback Calculated Property
Cp,gas	540.41	J/mol×K	978.56	Joback Calculated Property
Cp,gas	547.22	J/mol×K	1022.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenylthioacetic acid, 4-chlorophenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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