Chemical Properties of Abieta-8,11,13-trien-7-one

InChI

InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3

InChI Key

ISHVJVXYPLFKAL-UHFFFAOYSA-N

Formula

C20H28O

SMILES

CC(C)c1ccc2c(c1)C(=O)CC1C(C)(C)CCCC21C

Molecular Weight¹

284.44

• 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°	164.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-242.10	kJ/mol	Joback Calculated Property
ΔfusH°	17.35	kJ/mol	Joback Calculated Property
ΔvapH°	65.13	kJ/mol	Joback Calculated Property
log10WS	-6.03		Crippen Calculated Property
logPoct/wat	5.480		Crippen Calculated Property
McVol	248.750	ml/mol	McGowan Calculated Property
Pc	1697.70	kPa	Joback Calculated Property
Inp	[2284.00; 2315.00]
Inp	2315.00		NIST
Inp	2293.00		NIST
Inp	2312.00		NIST
Inp	2312.00		NIST
Inp	2284.00		NIST
Tboil	778.85	K	Joback Calculated Property
Tc	1025.29	K	Joback Calculated Property
Tfus	492.24	K	Joback Calculated Property
Vc	0.942	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[781.17; 926.31]	J/mol×K	[778.85; 1025.29]
Cp,gas	781.17	J/mol×K	778.85	Joback Calculated Property
Cp,gas	805.28	J/mol×K	819.92	Joback Calculated Property
Cp,gas	828.98	J/mol×K	861.00	Joback Calculated Property
Cp,gas	852.60	J/mol×K	902.07	Joback Calculated Property
Cp,gas	876.48	J/mol×K	943.14	Joback Calculated Property
Cp,gas	900.94	J/mol×K	984.22	Joback Calculated Property
Cp,gas	926.31	J/mol×K	1025.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Abieta-8,11,13-trien-7-one.

Sources

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

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