Chemical Properties of Cyclohexanol, 2-methyl-4-tert.-octyl, acetate

InChI

InChI=1S/C17H32O2/c1-12-10-14(8-9-15(12)19-13(2)18)17(6,7)11-16(3,4)5/h12,14-15H,8-11H2,1-7H3

InChI Key

VZVLBDDGOOHNPU-UHFFFAOYSA-N

Formula

C17H32O2

SMILES

CC(=O)OC1CCC(C(C)(C)CC(C)(C)C)CC1C

Molecular Weight¹

268.44

Other Names

• Cyclohexanol, 2-methyl-4-tert-octyl, acetate

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	23.30	kJ/mol	Joback Calculated Property
logPoct/wat	4.817		Crippen Calculated Property
McVol	246.970	ml/mol	McGowan Calculated Property
Inp	[1611.00; 1611.00]
Inp	1611.00		NIST
Inp	1611.00		NIST
Inp	1611.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Ionization energy, 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	[345.94; 905.81]	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			-8.98290e+01
Coefficient B			1.88484e+00
Coefficient C			-1.12020e-03
Coefficient D			2.31000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	345.94	J/mol×K	273.00	Calculated Property
Cp,gas	447.01	J/mol×K	353.78	Calculated Property
Cp,gas	536.66	J/mol×K	434.56	Calculated Property
Cp,gas	615.62	J/mol×K	515.33	Calculated Property
Cp,gas	684.62	J/mol×K	596.11	Calculated Property
Cp,gas	744.39	J/mol×K	676.89	Calculated Property
Cp,gas	795.66	J/mol×K	757.67	Calculated Property
Cp,gas	839.17	J/mol×K	838.44	Calculated Property
Cp,gas	875.64	J/mol×K	919.22	Calculated Property
Cp,gas	905.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0042062; 0.0001497]	Pa×s	[327.42; 598.60]	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			-1.28344e+01
Coefficient B			2.41085e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			327.42
Temperature range, max.			598.60
η	0.0042062	Pa×s	327.42	Calculated Property
η	0.0022616	Pa×s	357.55	Calculated Property
η	0.0013391	Pa×s	387.68	Calculated Property
η	0.0008552	Pa×s	417.81	Calculated Property
η	0.0005801	Pa×s	447.94	Calculated Property
η	0.0004132	Pa×s	478.07	Calculated Property
η	0.0003064	Pa×s	508.20	Calculated Property
η	0.0002350	Pa×s	538.33	Calculated Property
η	0.0001853	Pa×s	568.47	Calculated Property
η	0.0001497	Pa×s	598.60	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanol, 2-methyl-4-tert.-octyl, acetate.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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