Chemical Properties of Isoincensole

InChI

InChI=1S/C20H34O2/c1-15(2)20-12-11-17(4)8-6-7-16(3)9-10-18(21)19(5,22-20)13-14-20/h7,11,15,18,21H,6,8-10,12-14H2,1-5H3/b16-7-,17-11-

InChI Key

SSBZLMMXFQMHDP-NFJHNLFSSA-N

Formula

C20H34O2

SMILES

CC1=CCC2(C(C)C)CCC(C)(O2)C(O)CCC(C)=CCC1

Molecular Weight¹

306.48

• 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	0.5251		Relay (1.0) Calculated Property
ΔfG°	-73.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-506.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.61	kJ/mol	Joback Calculated Property
ΔvapH°	108.00	kJ/mol	Relay (1.0) Calculated Property
IE	7.95	eV	Relay (1.0) Calculated Property
log10WS	-3.65		Relay (1.0) Calculated Property
logPoct/wat	5.168		Crippen Calculated Property
McVol	274.080	ml/mol	McGowan Calculated Property
Pc	1648.43	kPa	Joback Calculated Property
Inp	[2125.00; 2249.00]
Inp	2125.00		NIST
Inp	2249.00		NIST
Inp	2249.00		NIST
Inp	2125.00		NIST
Inp	2152.00		NIST
Inp	2152.00		NIST
Tboil	639.84	K	Relay (1.0) Calculated Property
Tc	854.22	K	Relay (1.0) Calculated Property
Tfus	364.66	K	Relay (1.0) Calculated Property
Vc	0.925	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[913.28; 1054.57]	J/mol×K	[831.69; 1058.41]
Cp,gas	913.28	J/mol×K	831.69	Joback Calculated Property
Cp,gas	937.34	J/mol×K	869.48	Joback Calculated Property
Cp,gas	960.90	J/mol×K	907.26	Joback Calculated Property
Cp,gas	984.18	J/mol×K	945.05	Joback Calculated Property
Cp,gas	1007.41	J/mol×K	982.83	Joback Calculated Property
Cp,gas	1030.80	J/mol×K	1020.62	Joback Calculated Property
Cp,gas	1054.57	J/mol×K	1058.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isoincensole.

Sources

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

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