Chemical Properties of Methyl kolavenate (CAS 23527-24-4)

InChI

InChI=1S/C21H34O2/c1-15(14-19(22)23-6)10-12-20(4)17(3)11-13-21(5)16(2)8-7-9-18(20)21/h8,14,17-18H,7,9-13H2,1-6H3/b15-14+

InChI Key

ULUVTDOVIRYSSF-CCEZHUSRSA-N

Formula

C21H34O2

SMILES

COC(=O)C=C(C)CCC1(C)C(C)CCC2(C)C(C)=CCCC21

Molecular Weight¹

318.49

CAS

23527-24-4

• 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.
• 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°	30.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-457.07	kJ/mol	Joback Calculated Property
ΔfusH°	30.07	kJ/mol	Joback Calculated Property
ΔvapH°	70.08	kJ/mol	Joback Calculated Property
log10WS	-6.01		Crippen Calculated Property
logPoct/wat	5.685		Crippen Calculated Property
McVol	283.870	ml/mol	McGowan Calculated Property
Pc	1345.70	kPa	Joback Calculated Property
Inp	[2359.00; 2372.20]
Inp	2372.20		NIST
Inp	2359.00		NIST
Inp	2372.20		NIST
Tboil	786.05	K	Joback Calculated Property
Tc	1004.62	K	Joback Calculated Property
Tfus	453.95	K	Joback Calculated Property
Vc	1.079	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[901.63; 1042.70]	J/mol×K	[786.05; 1004.62]
Cp,gas	901.63	J/mol×K	786.05	Joback Calculated Property
Cp,gas	925.52	J/mol×K	822.48	Joback Calculated Property
Cp,gas	948.94	J/mol×K	858.91	Joback Calculated Property
Cp,gas	972.13	J/mol×K	895.34	Joback Calculated Property
Cp,gas	995.33	J/mol×K	931.77	Joback Calculated Property
Cp,gas	1018.77	J/mol×K	968.19	Joback Calculated Property
Cp,gas	1042.70	J/mol×K	1004.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl kolavenate.

Sources

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

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