Chemical Properties of trans-Wiskey lactone, dithio

InChI

InChI=1S/C9H16S2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1

InChI Key

KRJXCMCPWNDYTN-SFYZADRCSA-N

Formula

C9H16S2

SMILES

CCCCC1SC(=S)CC1C

Molecular Weight¹

188.35

• 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°	184.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-28.59	kJ/mol	Joback Calculated Property
ΔfusH°	23.76	kJ/mol	Joback Calculated Property
ΔvapH°	48.87	kJ/mol	Joback Calculated Property
log10WS	-4.09		Crippen Calculated Property
logPoct/wat	3.646		Crippen Calculated Property
McVol	155.210	ml/mol	McGowan Calculated Property
Pc	2838.39	kPa	Joback Calculated Property
Inp	1543.00		NIST
I	[2168.00; 2168.00]
I	2168.00		NIST
I	2168.00		NIST
Tboil	536.40	K	Joback Calculated Property
Tc	761.38	K	Joback Calculated Property
Tfus	344.97	K	Joback Calculated Property
Vc	0.564	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[349.34; 431.85]	J/mol×K	[536.40; 761.38]
Cp,gas	349.34	J/mol×K	536.40	Joback Calculated Property
Cp,gas	365.37	J/mol×K	573.90	Joback Calculated Property
Cp,gas	380.42	J/mol×K	611.39	Joback Calculated Property
Cp,gas	394.53	J/mol×K	648.89	Joback Calculated Property
Cp,gas	407.77	J/mol×K	686.38	Joback Calculated Property
Cp,gas	420.19	J/mol×K	723.88	Joback Calculated Property
Cp,gas	431.85	J/mol×K	761.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-Wiskey lactone, dithio.

Sources

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

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