Chemical Properties of Fernenol (9[11]-fernenol) acetate

InChI

InChI=1S/C32H52O2/c1-20(2)22-10-13-26-30(22,7)18-19-31(8)24-11-12-25-28(4,5)27(34-21(3)33)15-16-29(25,6)23(24)14-17-32(26,31)9/h14,20,22,24-27H,10-13,15-19H2,1-9H3/t22-,24?,25-,26?,27-,29+,30?,31+,32?/m1/s1

InChI Key

WQWTUUFHPFYTRZ-OHLBPESASA-N

Formula

C32H52O2

SMILES

CC(=O)OC1CCC2(C)C3=CCC4(C)C5CCC(C(C)C)C5(C)CCC4(C)C3CCC2C1(C)C

Molecular Weight¹

468.75

• 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°	167.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-606.04	kJ/mol	Joback Calculated Property
ΔfusH°	30.67	kJ/mol	Joback Calculated Property
ΔvapH°	89.84	kJ/mol	Joback Calculated Property
log10WS	-9.10		Crippen Calculated Property
logPoct/wat	8.596		Crippen Calculated Property
McVol	410.580	ml/mol	McGowan Calculated Property
Pc	888.41	kPa	Joback Calculated Property
Inp	[3437.00; 3437.00]
Inp	3437.00		NIST
Inp	3437.00		NIST
Tboil	1048.72	K	Joback Calculated Property
Tc	1296.76	K	Joback Calculated Property
Tfus	687.72	K	Joback Calculated Property
Vc	1.554	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1688.55; 2153.95]	J/mol×K	[1048.72; 1296.76]
Cp,gas	1688.55	J/mol×K	1048.72	Joback Calculated Property
Cp,gas	1749.18	J/mol×K	1090.06	Joback Calculated Property
Cp,gas	1815.48	J/mol×K	1131.40	Joback Calculated Property
Cp,gas	1888.28	J/mol×K	1172.74	Joback Calculated Property
Cp,gas	1968.41	J/mol×K	1214.08	Joback Calculated Property
Cp,gas	2056.69	J/mol×K	1255.42	Joback Calculated Property
Cp,gas	2153.95	J/mol×K	1296.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fernenol (9[11]-fernenol) acetate.

Sources

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

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