Chemical Properties of Abieta-8,12-diene

InChI

InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,14,18H,6,8-13H2,1-5H3/t18?,20-/m0/s1

InChI Key

BGVUIJDZTQIJIO-IJHRGXPZSA-N

Formula

C20H32

SMILES

CC(C)C1=CCC2=C(CCC3C(C)(C)CCCC23C)C1

Molecular Weight¹

272.47

• 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°	256.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-162.18	kJ/mol	Joback Calculated Property
ΔfusH°	16.62	kJ/mol	Joback Calculated Property
ΔvapH°	60.59	kJ/mol	Joback Calculated Property
log10WS	-6.62		Crippen Calculated Property
logPoct/wat	6.286		Crippen Calculated Property
McVol	251.480	ml/mol	McGowan Calculated Property
Pc	1602.56	kPa	Joback Calculated Property
Inp	[1983.00; 2023.00]
Inp	2023.00		NIST
Inp	2022.00		NIST
Inp	2011.00		NIST
Inp	1983.00		NIST
Inp	1990.00		NIST
Inp	2023.00		NIST
Inp	1983.00		NIST
Tboil	711.87	K	Joback Calculated Property
Tc	946.21	K	Joback Calculated Property
Tfus	423.26	K	Joback Calculated Property
Vc	0.949	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[764.74; 908.63]	J/mol×K	[711.87; 946.21]
Cp,gas	764.74	J/mol×K	711.87	Joback Calculated Property
Cp,gas	789.91	J/mol×K	750.93	Joback Calculated Property
Cp,gas	814.18	J/mol×K	789.98	Joback Calculated Property
Cp,gas	837.86	J/mol×K	829.04	Joback Calculated Property
Cp,gas	861.28	J/mol×K	868.09	Joback Calculated Property
Cp,gas	884.76	J/mol×K	907.15	Joback Calculated Property
Cp,gas	908.63	J/mol×K	946.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Abieta-8,12-diene.

Sources

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

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