Chemical Properties of dinorlabd-8(20)-en-13-one

InChI

InChI=1S/C18H30O/c1-13-7-10-16-17(3,4)11-6-12-18(16,5)15(13)9-8-14(2)19/h15-16H,1,6-12H2,2-5H3/t15?,16?,18-/m1/s1

InChI Key

JUSMYQGXNCVARI-LEOMRAHMSA-N

Formula

C18H30O

SMILES

C=C1CCC2C(C)(C)CCCC2(C)C1CCC(C)=O

Molecular Weight¹

262.43

• 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	0.4579		Relay (1.0) Calculated Property
ΔfG°	71.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-354.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.23	kJ/mol	Joback Calculated Property
ΔvapH°	82.52	kJ/mol	Relay (1.0) Calculated Property
IE	8.74	eV	Relay (1.0) Calculated Property
log10WS	-4.55		Relay (1.0) Calculated Property
logPoct/wat	5.154		Crippen Calculated Property
McVol	240.030	ml/mol	McGowan Calculated Property
Pc	1625.91	kPa	Joback Calculated Property
Inp	[1961.00; 1961.00]
Inp	1961.00		NIST
Inp	1961.00		NIST
Tboil	599.94	K	Relay (1.0) Calculated Property
Tc	823.02	K	Relay (1.0) Calculated Property
Tfus	329.68	K	Relay (1.0) Calculated Property
Vc	0.802	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[714.37; 843.87]	J/mol×K	[685.97; 904.63]
Cp,gas	714.37	J/mol×K	685.97	Joback Calculated Property
Cp,gas	737.55	J/mol×K	722.41	Joback Calculated Property
Cp,gas	759.80	J/mol×K	758.86	Joback Calculated Property
Cp,gas	781.32	J/mol×K	795.30	Joback Calculated Property
Cp,gas	802.36	J/mol×K	831.74	Joback Calculated Property
Cp,gas	823.13	J/mol×K	868.18	Joback Calculated Property
Cp,gas	843.87	J/mol×K	904.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to dinorlabd-8(20)-en-13-one.

Sources

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

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