Chemical Properties of cis-Wiskey lactone

InChI

InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1

InChI Key

WNVCMFHPRIBNCW-YUMQZZPRSA-N

Formula

C9H16O2

SMILES

CCCCC1OC(=O)CC1C

Molecular Weight¹

156.22

• 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°	-154.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-458.65	kJ/mol	Joback Calculated Property
ΔfusH°	21.56	kJ/mol	Joback Calculated Property
ΔvapH°	44.33	kJ/mol	Joback Calculated Property
log10WS	-2.22		Crippen Calculated Property
logPoct/wat	2.128		Crippen Calculated Property
McVol	134.250	ml/mol	McGowan Calculated Property
Pc	2744.03	kPa	Joback Calculated Property
Inp	[1286.00; 1286.00]
Inp	1286.00		NIST
Inp	1286.00		NIST
I	1951.00		NIST
Tboil	510.70	K	Joback Calculated Property
Tc	718.10	K	Joback Calculated Property
Tfus	292.64	K	Joback Calculated Property
Vc	0.507	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[323.83; 413.48]	J/mol×K	[510.70; 718.10]
Cp,gas	323.83	J/mol×K	510.70	Joback Calculated Property
Cp,gas	340.60	J/mol×K	545.27	Joback Calculated Property
Cp,gas	356.64	J/mol×K	579.83	Joback Calculated Property
Cp,gas	371.95	J/mol×K	614.40	Joback Calculated Property
Cp,gas	386.53	J/mol×K	648.97	Joback Calculated Property
Cp,gas	400.37	J/mol×K	683.53	Joback Calculated Property
Cp,gas	413.48	J/mol×K	718.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Wiskey lactone.

Sources

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

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