Chemical Properties of cis-Wiskey lactone, thio

InChI

InChI=1S/C9H16OS/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1

InChI Key

MXJQBWKNBCIJHS-YUMQZZPRSA-N

Formula

C9H16OS

SMILES

CCCCC1SC(=O)CC1C

Molecular Weight¹

172.29

• 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.
• I : 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°	-28.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-281.39	kJ/mol	Joback Calculated Property
ΔfusH°	17.24	kJ/mol	Joback Calculated Property
ΔvapH°	45.64	kJ/mol	Joback Calculated Property
log10WS	-3.01		Crippen Calculated Property
logPoct/wat	2.845		Crippen Calculated Property
McVol	144.730	ml/mol	McGowan Calculated Property
Pc	2752.67	kPa	Joback Calculated Property
Inp	[1387.00; 1387.00]
Inp	1387.00		NIST
Inp	1387.00		NIST
I	[1961.00; 1961.00]
I	1961.00		NIST
I	1961.00		NIST
Tboil	531.58	K	Joback Calculated Property
Tc	752.96	K	Joback Calculated Property
Tfus	349.52	K	Joback Calculated Property
Vc	0.532	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[341.22; 432.53]	J/mol×K	[531.58; 752.96]
Cp,gas	341.22	J/mol×K	531.58	Joback Calculated Property
Cp,gas	358.53	J/mol×K	568.48	Joback Calculated Property
Cp,gas	375.00	J/mol×K	605.37	Joback Calculated Property
Cp,gas	390.63	J/mol×K	642.27	Joback Calculated Property
Cp,gas	405.43	J/mol×K	679.17	Joback Calculated Property
Cp,gas	419.40	J/mol×K	716.07	Joback Calculated Property
Cp,gas	432.53	J/mol×K	752.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Wiskey lactone, thio.

Sources

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

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