Chemical Properties of (Z)-whiskey lactone (CAS 80041-00-5)

InChI

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

InChI Key

DYCIOBMGECOFOG-JGVFFNPUSA-N

Formula

C9H16O2

SMILES

CCCCC1CC(C)C(=O)O1

Molecular Weight¹

156.22

CAS

80041-00-5

Other Names

• Whisky lactone
• cis-whiskeylactone
• (Z)-whiskylactone
• cis-Whiskylactone
• cis-3-Methyl-4-octanolide (Whisky-lactone)

• 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	[1293.00; 1325.00]
Inp	1310.00		NIST
Inp	1293.00		NIST
Inp	1325.00		NIST
I	[1957.00; 1993.00]
I	1971.00		NIST
I	1993.00		NIST
I	1993.00		NIST
I	1989.00		NIST
I	1976.00		NIST
I	1985.00		NIST
I	1957.00		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 (Z)-whiskey lactone.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.