Chemical Properties of cis-«beta»-Methyloctalactone

InChI

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

InChI Key

HPBBFVUDQZEVHN-JGVFFNPUSA-N

Formula

C9H16O2

SMILES

CCCC1CCC(C)C(=O)O1

Molecular Weight¹

156.22

• 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	0.4355		Relay (... Calculated Property
ΔfG°	-167.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-485.70	kJ/mol	Relay (... Calculated Property
ΔfusH°	19.46	kJ/mol	Joback Calculated Property
ΔvapH°	65.39	kJ/mol	Relay (... Calculated Property
IE	9.88	eV	Relay (... Calculated Property
log10WS	-2.25		Relay (... Calculated Property
logPoct/wat	2.128		Crippen Calculated Property
McVol	134.250	ml/mol	McGowan Calculated Property
Pc	2817.33	kPa	Joback Calculated Property
Inp	[1281.00; 1281.00]
Inp	1281.00		NIST
Inp	1281.00		NIST
I	[1968.00; 1968.00]
I	1968.00		NIST
I	1968.00		NIST
Tboil	515.75	K	Relay (... Calculated Property
Tc	685.34	K	Relay (... Calculated Property
Tfus	236.48	K	Relay (... Calculated Property
Vc	0.491	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[324.10; 418.83]	J/mol×K	[514.97; 730.13]
Cp,gas	324.10	J/mol×K	514.97	Joback Calculated Property
Cp,gas	341.90	J/mol×K	550.83	Joback Calculated Property
Cp,gas	358.91	J/mol×K	586.69	Joback Calculated Property
Cp,gas	375.12	J/mol×K	622.55	Joback Calculated Property
Cp,gas	390.52	J/mol×K	658.41	Joback Calculated Property
Cp,gas	405.09	J/mol×K	694.27	Joback Calculated Property
Cp,gas	418.83	J/mol×K	730.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-«beta»-Methyloctalactone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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