Chemical Properties of cis-«beta»-Methyl-«gamma»-octalactone

InChI

InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1

InChI Key

WNVCMFHPRIBNCW-HTQZYQBOSA-N

Formula

C9H16O2

SMILES

CCCCC1OC(=O)CC1C

Molecular Weight¹

156.22

Other Names

• cis-«beta»-Methyl-«gamma»-Octalactone
• cis-4-methyl-5-butyldihydro-2(3H)-furanone
• cis-5-Butyl-4-methyldihydrofuran-2(3H)-one
• (cis)-Oak-lactone
• (Z)-Oaklactone
• 5-Butyl-4-methyldihydro-2(3H)-furanone, (Z)-
• cis-Whiskey lactone
• 5-Butyldihydro-4-methyl-2(3H)-furanone (cis)
• (.+/-.)-cis-Whiskey lactone
• 5-Butyl-4-methyldihydro-2(3H)-furanone
• trans-«beta»-methyl-«gamma»-octalactone

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.4725		Relay (1.0) Calculated Property
ΔfG°	-154.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-484.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.56	kJ/mol	Joback Calculated Property
ΔvapH°	59.86	kJ/mol	Relay (1.0) Calculated Property
IE	10.07	eV	Relay (1.0) Calculated Property
log10WS	-2.56		Relay (1.0) 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	[1333.00; 1343.80]
Inp	1340.00		NIST
Inp	1343.80		NIST
Inp	1333.00		NIST
Inp	1340.00		NIST
Inp	1333.00		NIST
I	[1949.00; 1991.00]
I	Outlier 1991.00		NIST
I	1967.00		NIST
I	1964.00		NIST
I	1953.00		NIST
I	1949.00		NIST
I	1953.00		NIST
I	1964.00		NIST
I	1967.00		NIST
Tboil	519.08	K	Relay (1.0) Calculated Property
Tc	685.14	K	Relay (1.0) Calculated Property
Tfus	226.69	K	Relay (1.0) Calculated Property
Vc	0.493	m3/kmol	Relay (1.0) 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-«beta»-Methyl-«gamma»-octalactone.

Sources

• Cheméo Relay (1.0)
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.