Chemical Properties of 1-ethyl-2-methylcyclohexanol (CAS 102370-18-3)

InChI

InChI=1S/C9H18O/c1-3-9(10)7-5-4-6-8(9)2/h8,10H,3-7H2,1-2H3

InChI Key

YIXMIPVWEWDXSJ-UHFFFAOYSA-N

Formula

C9H18O

SMILES

CCC1(O)CCCCC1C

Molecular Weight¹

142.24

CAS

102370-18-3

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[169.13; 501.38]	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			-1.09659e+02
Coefficient B			1.28034e+00
Coefficient C			-1.05440e-03
Coefficient D			3.85100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	169.13	J/mol×K	273.00	Calculated Property
Cp,gas	228.38	J/mol×K	353.78	Calculated Property
Cp,gas	279.21	J/mol×K	434.56	Calculated Property
Cp,gas	322.83	J/mol×K	515.33	Calculated Property
Cp,gas	360.46	J/mol×K	596.11	Calculated Property
Cp,gas	393.32	J/mol×K	676.89	Calculated Property
Cp,gas	422.62	J/mol×K	757.67	Calculated Property
Cp,gas	449.59	J/mol×K	838.44	Calculated Property
Cp,gas	475.43	J/mol×K	919.22	Calculated Property
Cp,gas	501.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.15; 202.64]	kPa	[310.05; 517.22]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.37225e+01
Coefficient B			-3.78111e+03
Coefficient C			-6.76820e+01
Temperature range, min.			310.05
Temperature range, max.			517.22
Pvap	0.15	kPa	310.05	Calculated Property
Pvap	0.59	kPa	333.07	Calculated Property
Pvap	1.84	kPa	356.09	Calculated Property
Pvap	4.86	kPa	379.11	Calculated Property
Pvap	11.21	kPa	402.13	Calculated Property
Pvap	23.22	kPa	425.14	Calculated Property
Pvap	44.03	kPa	448.16	Calculated Property
Pvap	77.62	kPa	471.18	Calculated Property
Pvap	128.70	kPa	494.20	Calculated Property
Pvap	202.64	kPa	517.22	Calculated Property

Similar Compounds

Find more compounds similar to 1-ethyl-2-methylcyclohexanol.

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
• The Yaws Handbook of Vapor Pressure

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