Chemical Properties of Cyclohexanol, trans-4-(1-methylethyl) (CAS 15890-36-5)

InChI

InChI=1S/C9H18O/c1-7(2)8-3-5-9(10)6-4-8/h7-10H,3-6H2,1-2H3/t8-,9-

InChI Key

DKKRDMLKVSKFMJ-KYZUINATSA-N

Formula

C9H18O

SMILES

CC(C)C1CCC(O)CC1

Molecular Weight¹

142.24

CAS

15890-36-5

Other Names

• Cyclohexanol, 4-(1-methylethyl)-, trans-
• trans-4-(1-methylethyl)cyclohexanol

• 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	0.4927		Relay (1.0) Calculated Property
ΔfusH°	12.54	kJ/mol	Joback Calculated Property
ΔvapH°	76.13	kJ/mol	Relay (1.0) Calculated Property
IE	9.43	eV	Relay (1.0) Calculated Property
log10WS	-2.08		Relay (1.0) Calculated Property
logPoct/wat	2.194		Crippen Calculated Property
McVol	132.680	ml/mol	McGowan Calculated Property
Pc	3052.41	kPa	Joback Calculated Property
Inp	[1173.00; 1173.00]
Inp	1173.00		NIST
Inp	1173.00		NIST
Tboil	484.00 ± 2.00	K	NIST
Tc	680.24	K	Relay (1.0) Calculated Property
Tfus	278.35	K	Relay (1.0) Calculated Property

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	[172.74; 494.59]	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			-6.13500e+01
Coefficient B			9.94340e-01
Coefficient C			-5.25000e-04
Coefficient D			8.66000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	172.74	J/mol×K	273.00	Calculated Property
Cp,gas	228.55	J/mol×K	353.78	Calculated Property
Cp,gas	278.71	J/mol×K	434.56	Calculated Property
Cp,gas	323.49	J/mol×K	515.33	Calculated Property
Cp,gas	363.17	J/mol×K	596.11	Calculated Property
Cp,gas	398.02	J/mol×K	676.89	Calculated Property
Cp,gas	428.31	J/mol×K	757.67	Calculated Property
Cp,gas	454.32	J/mol×K	838.44	Calculated Property
Cp,gas	476.32	J/mol×K	919.22	Calculated Property
Cp,gas	494.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0730257; 0.0001879]	Pa×s	[240.15; 493.01]	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			-1.42425e+01
Coefficient B			2.79187e+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.			240.15
Temperature range, max.			493.01
η	0.0730257	Pa×s	240.15	Calculated Property
η	0.0216107	Pa×s	268.25	Calculated Property
η	0.0080562	Pa×s	296.34	Calculated Property
η	0.0035630	Pa×s	324.44	Calculated Property
η	0.0017946	Pa×s	352.53	Calculated Property
η	0.0010002	Pa×s	380.63	Calculated Property
η	0.0006041	Pa×s	408.72	Calculated Property
η	0.0003893	Pa×s	436.82	Calculated Property
η	0.0002646	Pa×s	464.91	Calculated Property
η	0.0001879	Pa×s	493.01	Calculated Property

Similar Compounds

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

Sources

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

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