Chemical Properties of Incensole

InChI

InChI=1S/C19H32O2/c1-15(2)19-12-11-16(3)9-7-5-6-8-10-17(20)18(4,21-19)13-14-19/h5-6,11,15,17,20H,7-10,12-14H2,1-4H3/b6-5+,16-11-/t17-,18-,19+/m0/s1

InChI Key

KFRXGVJCCPYNOO-NVMCYVCTSA-N

Formula

C19H32O2

SMILES

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

Molecular Weight¹

292.46

• 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°	-72.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-520.61	kJ/mol	Joback Calculated Property
ΔfusH°	21.41	kJ/mol	Joback Calculated Property
ΔvapH°	78.70	kJ/mol	Joback Calculated Property
log10WS	-5.72		Crippen Calculated Property
logPoct/wat	4.778		Crippen Calculated Property
McVol	259.990	ml/mol	McGowan Calculated Property
Pc	1807.70	kPa	Joback Calculated Property
Inp	[2164.00; 2193.00]
Inp	2164.00		NIST
Inp	2193.00		NIST
Inp	2193.00		NIST
Inp	2164.00		NIST
Tboil	803.83	K	Joback Calculated Property
Tc	1032.84	K	Joback Calculated Property
Tfus	438.08	K	Joback Calculated Property
Vc	0.943	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[851.74; 989.20]	J/mol×K	[803.83; 1032.84]
Cp,gas	851.74	J/mol×K	803.83	Joback Calculated Property
Cp,gas	875.41	J/mol×K	842.00	Joback Calculated Property
Cp,gas	898.47	J/mol×K	880.17	Joback Calculated Property
Cp,gas	921.14	J/mol×K	918.33	Joback Calculated Property
Cp,gas	943.67	J/mol×K	956.50	Joback Calculated Property
Cp,gas	966.27	J/mol×K	994.67	Joback Calculated Property
Cp,gas	989.20	J/mol×K	1032.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Incensole.

Sources

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

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