Chemical Properties of Abieta-7,11-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/h7-9,14-15,17-18H,6,10-13H2,1-5H3/t15?,17?,18?,20-/m0/s1

InChI Key

KJYQZJWXFQWVEO-ZMXXURFWSA-N

Formula

C20H32

SMILES

CC(C)C1C=CC2C(=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°	260.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-179.92	kJ/mol	Joback Calculated Property
ΔfusH°	19.54	kJ/mol	Joback Calculated Property
ΔvapH°	58.65	kJ/mol	Joback Calculated Property
log10WS	-6.14		Crippen Calculated Property
logPoct/wat	5.997		Crippen Calculated Property
McVol	251.480	ml/mol	McGowan Calculated Property
Pc	1557.35	kPa	Joback Calculated Property
Inp	[2017.00; 2067.00]
Inp	2017.00		NIST
Inp	2043.00		NIST
Inp	2067.00		NIST
Tboil	692.57	K	Joback Calculated Property
Tc	925.50	K	Joback Calculated Property
Tfus	389.74	K	Joback Calculated Property
Vc	0.947	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[767.50; 915.09]	J/mol×K	[692.57; 925.50]
Cp,gas	767.50	J/mol×K	692.57	Joback Calculated Property
Cp,gas	793.97	J/mol×K	731.39	Joback Calculated Property
Cp,gas	819.28	J/mol×K	770.21	Joback Calculated Property
Cp,gas	843.73	J/mol×K	809.04	Joback Calculated Property
Cp,gas	867.63	J/mol×K	847.86	Joback Calculated Property
Cp,gas	891.32	J/mol×K	886.68	Joback Calculated Property
Cp,gas	915.09	J/mol×K	925.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Abieta-7,11-diene.

Sources

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

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