Chemical Properties of trans,trans-2,5-Di-tert-butylcyclohexanol (CAS 24418-07-3)

InChI

InChI=1S/C14H28O/c1-13(2,3)10-7-8-11(12(15)9-10)14(4,5)6/h10-12,15H,7-9H2,1-6H3/t10-,11-,12-/m0/s1

InChI Key

REPJSEOIEYLARO-SRVKXCTJSA-N

Formula

C14H28O

SMILES

CC(C)(C)C1CCC(C(C)(C)C)C(O)C1

Molecular Weight¹

212.37

CAS

24418-07-3

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[278.47; 761.60]	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			-1.07220e+02
Coefficient B			1.68862e+00
Coefficient C			-1.08200e-03
Coefficient D			2.62200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	278.47	J/mol×K	273.00	Calculated Property
Cp,gas	366.36	J/mol×K	353.78	Calculated Property
Cp,gas	443.77	J/mol×K	434.56	Calculated Property
Cp,gas	511.52	J/mol×K	515.33	Calculated Property
Cp,gas	570.44	J/mol×K	596.11	Calculated Property
Cp,gas	621.36	J/mol×K	676.89	Calculated Property
Cp,gas	665.10	J/mol×K	757.67	Calculated Property
Cp,gas	702.51	J/mol×K	838.44	Calculated Property
Cp,gas	734.39	J/mol×K	919.22	Calculated Property
Cp,gas	761.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0155906; 0.0001045]	Pa×s	[312.10; 569.20]	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			-1.52416e+01
Coefficient B			3.45824e+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.			312.10
Temperature range, max.			569.20
η	0.0155906	Pa×s	312.10	Calculated Property
η	0.0061565	Pa×s	340.67	Calculated Property
η	0.0028070	Pa×s	369.23	Calculated Property
η	0.0014326	Pa×s	397.80	Calculated Property
η	0.0008002	Pa×s	426.37	Calculated Property
η	0.0004808	Pa×s	454.93	Calculated Property
η	0.0003069	Pa×s	483.50	Calculated Property
η	0.0002059	Pa×s	512.07	Calculated Property
η	0.0001441	Pa×s	540.63	Calculated Property
η	0.0001045	Pa×s	569.20	Calculated Property

Similar Compounds

Find more compounds similar to trans,trans-2,5-Di-tert-butylcyclohexanol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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