Chemical Properties of Cyclohexanol, 4-(1,1-dimethylethyl)-, trans- (CAS 21862-63-5)

InChI

InChI=1S/C10H20O/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3/t8-,9-

InChI Key

CCOQPGVQAWPUPE-KYZUINATSA-N

Formula

C10H20O

SMILES

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

Molecular Weight¹

156.27

CAS

21862-63-5

Other Names

• (E)-4-tert-Butylcyclohexanol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4818		Relay (1.0) Calculated Property
ΔfusH°	11.24	kJ/mol	Joback Calculated Property
ΔvapH°	76.29	kJ/mol	Relay (1.0) Calculated Property
IE	9.91 ± 0.02	eV	NIST
log10WS	-2.35		Relay (1.0) 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	1245.00		NIST
Tboil	501.62	K	Relay (1.0) Calculated Property
Tc	697.31	K	Relay (1.0) Calculated Property
Tfus	[345.00; 351.90]	K
Tfus	351.90 ± 3.00	K	NIST
Tfus	345.00 ± 14.00	K	NIST

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[192.81; 547.11]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-8.50500e+01
Coefficient B			1.20926e+00
Coefficient C			-7.48000e-04
Coefficient D			1.70900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.81	J/mol×K	273.00	Calculated Property
Cp,gas	256.71	J/mol×K	353.78	Calculated Property
Cp,gas	313.21	J/mol×K	434.56	Calculated Property
Cp,gas	362.87	J/mol×K	515.33	Calculated Property
Cp,gas	406.20	J/mol×K	596.11	Calculated Property
Cp,gas	443.77	J/mol×K	676.89	Calculated Property
Cp,gas	476.10	J/mol×K	757.67	Calculated Property
Cp,gas	503.74	J/mol×K	838.44	Calculated Property
Cp,gas	527.23	J/mol×K	919.22	Calculated Property
Cp,gas	547.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027860; 0.0001671]	Pa×s	[348.45; 510.51]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.47474e+01
Coefficient B			3.08875e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			348.45
Temperature range, max.			510.51
η	0.0027860	Pa×s	348.45	Calculated Property
η	0.0018022	Pa×s	366.46	Calculated Property
η	0.0012144	Pa×s	384.46	Calculated Property
η	0.0008477	Pa×s	402.47	Calculated Property
η	0.0006103	Pa×s	420.48	Calculated Property
η	0.0004514	Pa×s	438.48	Calculated Property
η	0.0003419	Pa×s	456.49	Calculated Property
η	0.0002644	Pa×s	474.50	Calculated Property
η	0.0002084	Pa×s	492.50	Calculated Property
η	0.0001671	Pa×s	510.51	Calculated Property

Similar Compounds

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

Sources

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

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