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

• 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	0.5486		Relay (1.0) Calculated Property
ΔfG°	164.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-280.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.35	kJ/mol	Joback Calculated Property
ΔvapH°	95.85	kJ/mol	Relay (1.0) Calculated Property
IE	8.57	eV	Relay (1.0) Calculated Property
log10WS	-5.85		Relay (1.0) 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	637.80	K	Relay (1.0) Calculated Property
Tc	892.94	K	Relay (1.0) Calculated Property
Tfus	382.92	K	Relay (1.0) Calculated Property
Vc	0.887	m3/kmol	Relay (1.0) 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.