Chemical Properties of Isopimarinal

InChI

InChI=1S/C20H30O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,14,16-17H,1,6,8-13H2,2-4H3/t16?,17?,18?,19-,20+/m1/s1

InChI Key

NLLZQKHFTCHPED-GIVJDJEMSA-N

Formula

C20H30O

SMILES

C=CC1(C)CCC2C(=CCC3C(C)(C=O)CCCC23C)C1

Molecular Weight¹

286.45

• 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°	216.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-177.33	kJ/mol	Joback Calculated Property
ΔfusH°	16.55	kJ/mol	Joback Calculated Property
ΔvapH°	63.65	kJ/mol	Joback Calculated Property
log10WS	-5.66		Crippen Calculated Property
logPoct/wat	5.321		Crippen Calculated Property
McVol	253.050	ml/mol	McGowan Calculated Property
Pc	1711.78	kPa	Joback Calculated Property
Inp	[2200.00; 2204.00]
Inp	2204.00		NIST
Inp	2200.00		NIST
I	[2845.00; 2854.00]
I	2845.00		NIST
I	2854.00		NIST
Tboil	739.43	K	Joback Calculated Property
Tc	979.37	K	Joback Calculated Property
Tfus	468.12	K	Joback Calculated Property
Vc	0.963	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[790.90; 947.09]	J/mol×K	[739.43; 979.37]
Cp,gas	790.90	J/mol×K	739.43	Joback Calculated Property
Cp,gas	816.13	J/mol×K	779.42	Joback Calculated Property
Cp,gas	841.06	J/mol×K	819.41	Joback Calculated Property
Cp,gas	866.16	J/mol×K	859.40	Joback Calculated Property
Cp,gas	891.89	J/mol×K	899.39	Joback Calculated Property
Cp,gas	918.71	J/mol×K	939.38	Joback Calculated Property
Cp,gas	947.09	J/mol×K	979.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isopimarinal.

Sources

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

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