Chemical Properties of Cyclohexanol, 4-(1,1-dimethylethyl)- (CAS 98-52-2)

InChI

InChI=1S/C10H20O/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3

InChI Key

CCOQPGVQAWPUPE-UHFFFAOYSA-N

Formula

C10H20O

SMILES

CC(C)(C)C1CCC(O)CC1

Molecular Weight¹

156.27

CAS

98-52-2

Other Names

• Cyclohexanol, 4-tert-butyl-
• p-tert-Butylcyclohexanol
• 4-tert-Butylcyclohexanol
• 4-tert-Butylcyclohexanol,c&t
• USAF do-20
• Padaryl
• 4-t-Butylcyclohexanol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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°	-83.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-376.73	kJ/mol	Joback Calculated Property
ΔfusH°	11.24	kJ/mol	Joback Calculated Property
ΔvapH°	53.36	kJ/mol	Joback Calculated Property
log10WS	-2.80		Crippen Calculated Property
logPoct/wat	2.584		Crippen Calculated Property
McVol	146.770	ml/mol	McGowan Calculated Property
Pc	2784.72	kPa	Joback Calculated Property
Inp	[1205.00; 1223.00]
Inp	1205.00		NIST
Inp	1214.00		NIST
Inp	1223.00		NIST
Inp	1205.00		NIST
Inp	1214.00		NIST
Inp	1223.00		NIST
Inp	1214.00		NIST
Inp	1214.00		NIST
I	[1666.00; 1730.00]
I	1666.00		NIST
I	1677.00		NIST
I	1687.00		NIST
I	1709.00		NIST
I	1720.00		NIST
I	1730.00		NIST
I	1666.00		NIST
I	1730.00		NIST
Tboil	532.03	K	Joback Calculated Property
Tc	729.03	K	Joback Calculated Property
Tfus	268.84	K	Joback Calculated Property
Vc	0.535	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[372.32; 465.20]	J/mol×K	[532.03; 729.03]
Cp,gas	372.32	J/mol×K	532.03	Joback Calculated Property
Cp,gas	390.15	J/mol×K	564.86	Joback Calculated Property
Cp,gas	406.99	J/mol×K	597.70	Joback Calculated Property
Cp,gas	422.88	J/mol×K	630.53	Joback Calculated Property
Cp,gas	437.86	J/mol×K	663.36	Joback Calculated Property
Cp,gas	451.95	J/mol×K	696.19	Joback Calculated Property
Cp,gas	465.20	J/mol×K	729.03	Joback Calculated Property
η	[0.0001308; 0.0384558]	Pa×s	[268.84; 532.03]
η	0.0384558	Pa×s	268.84	Joback Calculated Property
η	0.0076741	Pa×s	312.71	Joback Calculated Property
η	0.0022767	Pa×s	356.57	Joback Calculated Property
η	0.0008815	Pa×s	400.44	Joback Calculated Property
η	0.0004116	Pa×s	444.30	Joback Calculated Property
η	0.0002204	Pa×s	488.16	Joback Calculated Property
η	0.0001308	Pa×s	532.03	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Cyclohexanol, 4-(1,1-dimethylethyl)-.

Sources

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

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