Chemical Properties of Isopimarane

InChI

InChI=1S/C20H36/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h15-17H,6-14H2,1-5H3/t15?,16?,17?,19-,20-/m0/s1

InChI Key

GZHFBZCDMVGRTI-GTSVPISWSA-N

Formula

C20H36

SMILES

CCC1(C)CCC2C(CCC3C(C)(C)CCCC23C)C1

Molecular Weight¹

276.50

• 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.
• 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	0.4100		Relay (1.0) Calculated Property
ΔfG°	199.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-303.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.78	kJ/mol	Joback Calculated Property
ΔvapH°	79.13	kJ/mol	Relay (1.0) Calculated Property
IE	8.71	eV	Relay (1.0) Calculated Property
log10WS	-7.04		Relay (1.0) Calculated Property
logPoct/wat	6.445		Crippen Calculated Property
McVol	260.080	ml/mol	McGowan Calculated Property
Pc	1494.19	kPa	Joback Calculated Property
Inp	[1950.00; 2019.00]
Inp	1950.00		NIST
Inp	2019.00		NIST
Inp	2019.00		NIST
Tboil	598.37	K	Relay (1.0) Calculated Property
Tc	831.56	K	Relay (1.0) Calculated Property
Tfus	324.05	K	Relay (1.0) Calculated Property
Vc	0.941	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[811.77; 977.79]	J/mol×K	[685.28; 917.18]
Cp,gas	811.77	J/mol×K	685.28	Joback Calculated Property
Cp,gas	840.70	J/mol×K	723.93	Joback Calculated Property
Cp,gas	868.58	J/mol×K	762.58	Joback Calculated Property
Cp,gas	895.82	J/mol×K	801.23	Joback Calculated Property
Cp,gas	922.83	J/mol×K	839.88	Joback Calculated Property
Cp,gas	950.02	J/mol×K	878.53	Joback Calculated Property
Cp,gas	977.79	J/mol×K	917.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isopimarane.

Sources

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

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