Chemical Properties of 7-epi-Helifolan-12-ol (syn)

InChI

InChI=1S/C15H24O/c1-11-4-5-12-14(3,10-16)13(2)6-8-15(11,12)9-7-13/h6,8,11-12,16H,4-5,7,9-10H2,1-3H3

InChI Key

AGJMNKNZLOUBMN-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CC1CCC2C13C=CC(C)(CC3)C2(C)CO

Molecular Weight¹

220.35

• 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.
• I : 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	0.5179		Relay (1.0) Calculated Property
ΔfG°	94.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-201.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.37	kJ/mol	Joback Calculated Property
ΔvapH°	90.01	kJ/mol	Relay (1.0) Calculated Property
IE	8.23	eV	Relay (1.0) Calculated Property
log10WS	-4.32		Relay (1.0) Calculated Property
logPoct/wat	3.387		Crippen Calculated Property
McVol	191.200	ml/mol	McGowan Calculated Property
Pc	2448.32	kPa	Joback Calculated Property
Inp	[1697.00; 1697.00]
Inp	1697.00		NIST
Inp	1697.00		NIST
I	2446.00		NIST
Tboil	549.23	K	Relay (1.0) Calculated Property
Tc	824.00	K	Relay (1.0) Calculated Property
Tfus	425.52	K	Relay (1.0) Calculated Property
Vc	0.660	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[571.29; 679.23]	J/mol×K	[654.08; 869.33]
Cp,gas	571.29	J/mol×K	654.08	Joback Calculated Property
Cp,gas	589.81	J/mol×K	689.96	Joback Calculated Property
Cp,gas	607.66	J/mol×K	725.83	Joback Calculated Property
Cp,gas	625.17	J/mol×K	761.71	Joback Calculated Property
Cp,gas	642.71	J/mol×K	797.58	Joback Calculated Property
Cp,gas	660.61	J/mol×K	833.46	Joback Calculated Property
Cp,gas	679.23	J/mol×K	869.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to 7-epi-Helifolan-12-ol (syn).

Sources

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

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