Chemical Properties of trans-Wiskey lactone, thiono

InChI

InChI=1S/C9H16OS/c1-3-4-5-8-7(2)6-9(11)10-8/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1

InChI Key

IBXKFMLVUWMVDT-SFYZADRCSA-N

Formula

C9H16OS

SMILES

CCCCC1OC(=S)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°	58.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-205.85	kJ/mol	Joback Calculated Property
ΔfusH°	28.08	kJ/mol	Joback Calculated Property
ΔvapH°	47.56	kJ/mol	Joback Calculated Property
log10WS	-3.29		Crippen Calculated Property
logPoct/wat	2.929		Crippen Calculated Property
McVol	144.730	ml/mol	McGowan Calculated Property
Pc	2829.33	kPa	Joback Calculated Property
Inp	1391.00		NIST
I	[2034.00; 2034.00]
I	2034.00		NIST
I	2034.00		NIST
Tboil	515.52	K	Joback Calculated Property
Tc	726.34	K	Joback Calculated Property
Tfus	288.09	K	Joback Calculated Property
Vc	0.538	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[332.76; 414.33]	J/mol×K	[515.52; 726.34]
Cp,gas	332.76	J/mol×K	515.52	Joback Calculated Property
Cp,gas	348.43	J/mol×K	550.66	Joback Calculated Property
Cp,gas	363.22	J/mol×K	585.79	Joback Calculated Property
Cp,gas	377.16	J/mol×K	620.93	Joback Calculated Property
Cp,gas	390.30	J/mol×K	656.07	Joback Calculated Property
Cp,gas	402.68	J/mol×K	691.21	Joback Calculated Property
Cp,gas	414.33	J/mol×K	726.34	Joback Calculated Property

Similar Compounds

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

Sources

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

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