Chemical Properties of [1R-[1«alpha»,3«alpha»,4«beta»]]-4-Ethenyl-«alpha»,«alpha»,4-trimethyl-3-[1-methylethenyl]cyclohexanemethanol

InChI

InChI=1S/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13+,15-/m1/s1

InChI Key

GFJIQNADMLPFOW-VNHYZAJKSA-N

Formula

C15H26O

SMILES

C=CC1(C)CCC(C(C)(C)O)CC1C(=C)C

Molecular Weight¹

222.37

• 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	0.5301		Relay (... Calculated Property
ΔfG°	112.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-249.72	kJ/mol	Relay (... Calculated Property
ΔfusH°	15.09	kJ/mol	Joback Calculated Property
ΔvapH°	81.17	kJ/mol	Relay (... Calculated Property
IE	8.71	eV	Relay (... Calculated Property
log10WS	-3.55		Relay (... Calculated Property
logPoct/wat	3.942		Crippen Calculated Property
McVol	208.620	ml/mol	McGowan Calculated Property
Pc	1933.83	kPa	Joback Calculated Property
Inp	[1552.40; 1556.30]
Inp	1553.40		NIST
Inp	1552.40		NIST
Inp	1556.30		NIST
Tboil	546.24	K	Relay (... Calculated Property
Tc	755.97	K	Relay (... Calculated Property
Tfus	283.59	K	Relay (... Calculated Property
Vc	0.702	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[587.75; 690.93]	J/mol×K	[635.24; 836.45]
Cp,gas	587.75	J/mol×K	635.24	Joback Calculated Property
Cp,gas	607.17	J/mol×K	668.78	Joback Calculated Property
Cp,gas	625.55	J/mol×K	702.31	Joback Calculated Property
Cp,gas	642.99	J/mol×K	735.85	Joback Calculated Property
Cp,gas	659.62	J/mol×K	769.38	Joback Calculated Property
Cp,gas	675.56	J/mol×K	802.92	Joback Calculated Property
Cp,gas	690.93	J/mol×K	836.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to [1R-[1«alpha»,3«alpha»,4«beta»]]-4-Ethenyl-«alpha»,«alpha»,4-trimethyl-3-[1-methylethenyl]cyclohexanemethanol.

Sources

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

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