Chemical Properties of 1-Methyl-3-tert-butyl-3-cyclohexanol

InChI

InChI=1S/C11H22O/c1-9-6-5-7-11(12,8-9)10(2,3)4/h9,12H,5-8H2,1-4H3

InChI Key

PYDPNWPNDMTDCF-UHFFFAOYSA-N

Formula

C11H22O

SMILES

CC1CCCC(O)(C(C)(C)C)C1

Molecular Weight¹

170.29

• 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	0.4903		Relay (1.0) Calculated Property
ΔfG°	-80.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-386.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.53	kJ/mol	Joback Calculated Property
ΔvapH°	63.75	kJ/mol	Relay (1.0) Calculated Property
IE	9.02	eV	Relay (1.0) Calculated Property
log10WS	-2.73		Relay (1.0) Calculated Property
logPoct/wat	2.974		Crippen Calculated Property
McVol	160.860	ml/mol	McGowan Calculated Property
Pc	2640.67	kPa	Joback Calculated Property
Inp	[1264.00; 1264.00]
Inp	1264.00		NIST
Inp	1264.00		NIST
Tboil	482.56	K	Relay (1.0) Calculated Property
Tc	698.67	K	Relay (1.0) Calculated Property
Tfus	328.38	K	Relay (1.0) Calculated Property
Vc	0.564	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[420.99; 515.91]	J/mol×K	[555.15; 757.01]
Cp,gas	420.99	J/mol×K	555.15	Joback Calculated Property
Cp,gas	439.20	J/mol×K	588.79	Joback Calculated Property
Cp,gas	456.30	J/mol×K	622.44	Joback Calculated Property
Cp,gas	472.41	J/mol×K	656.08	Joback Calculated Property
Cp,gas	487.65	J/mol×K	689.73	Joback Calculated Property
Cp,gas	502.11	J/mol×K	723.37	Joback Calculated Property
Cp,gas	515.91	J/mol×K	757.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Methyl-3-tert-butyl-3-cyclohexanol.

Sources

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

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