Chemical Properties of 2,6-Diphenyl-thiacyclohexanone-4 (CAS 37014-01-0)

InChI

InChI=1S/C17H16OS/c18-15-11-16(13-7-3-1-4-8-13)19-17(12-15)14-9-5-2-6-10-14/h1-10,16-17H,11-12H2

InChI Key

PPJHHCQGZVIWAR-UHFFFAOYSA-N

Formula

C17H16OS

SMILES

O=C1CC(c2ccccc2)SC(c2ccccc2)C1

Molecular Weight¹

268.37

CAS

37014-01-0

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• 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
ΔcH°solid	[-9518.60; -9491.80]	kJ/mol
ΔcH°solid	-9518.60 ± 6.70	kJ/mol	NIST
ΔcH°solid	-9491.80 ± 9.70	kJ/mol	NIST
ΔfG°	251.09	kJ/mol	Joback Calculated Property
ΔfH°gas	84.10 ± 7.40	kJ/mol	NIST
ΔfusH°	23.94	kJ/mol	Joback Calculated Property
ΔsubH°	[144.00; 144.00]	kJ/mol
ΔsubH°	144.00 ± 3.00	kJ/mol	NIST
ΔsubH°	144.00	kJ/mol	NIST
ΔvapH°	68.17	kJ/mol	Joback Calculated Property
log10WS	-5.12		Crippen Calculated Property
logPoct/wat	4.565		Crippen Calculated Property
McVol	209.930	ml/mol	McGowan Calculated Property
Pc	2532.82	kPa	Joback Calculated Property
Tboil	772.25	K	Joback Calculated Property
Tc	1060.09	K	Joback Calculated Property
Tfus	489.00	K	Joback Calculated Property
Vc	0.756	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[600.95; 689.09]	J/mol×K	[772.25; 1060.09]
Cp,gas	600.95	J/mol×K	772.25	Joback Calculated Property
Cp,gas	620.79	J/mol×K	820.22	Joback Calculated Property
Cp,gas	638.46	J/mol×K	868.20	Joback Calculated Property
Cp,gas	654.05	J/mol×K	916.17	Joback Calculated Property
Cp,gas	667.63	J/mol×K	964.14	Joback Calculated Property
Cp,gas	679.29	J/mol×K	1012.11	Joback Calculated Property
Cp,gas	689.09	J/mol×K	1060.09	Joback Calculated Property
ΔsubH	136.00	kJ/mol	375.00	NIST

Similar Compounds

Find more compounds similar to 2,6-Diphenyl-thiacyclohexanone-4.

Sources

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

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