Chemical Properties of Cyclohexanol, 3,3,5-trimethyl-, acetate, cis- (CAS 24691-16-5)

InChI

InChI=1S/C11H20O2/c1-8-5-10(13-9(2)12)7-11(3,4)6-8/h8,10H,5-7H2,1-4H3

InChI Key

OIVWFAFCHQDCCG-UHFFFAOYSA-N

Formula

C11H20O2

SMILES

CC(=O)OC1CC(C)CC(C)(C)C1

Molecular Weight¹

184.28

CAS

24691-16-5

Other Names

• 3,3,5-Trimethylcyclohexyl acetate
• cis-3,3,5-trimethylcyclohexyl acetate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfH°gas	-587.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.29	kJ/mol	Joback Calculated Property
ΔvapH°	64.70	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.17		Relay (1.0) Calculated Property
logPoct/wat	2.764		Crippen Calculated Property
McVol	162.430	ml/mol	McGowan Calculated Property
Inp	[1196.00; 1196.00]
Inp	1196.00		NIST
Inp	1196.00		NIST
Tboil	469.41	K	Relay (1.0) Calculated Property
Tfus	224.08	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[217.65; 600.66]	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			-8.54200e+01
Coefficient B			1.35508e+00
Coefficient C			-9.82800e-04
Coefficient D			3.13800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	217.65	J/mol×K	273.00	Calculated Property
Cp,gas	284.87	J/mol×K	353.78	Calculated Property
Cp,gas	343.60	J/mol×K	434.56	Calculated Property
Cp,gas	394.84	J/mol×K	515.33	Calculated Property
Cp,gas	439.59	J/mol×K	596.11	Calculated Property
Cp,gas	478.84	J/mol×K	676.89	Calculated Property
Cp,gas	513.58	J/mol×K	757.67	Calculated Property
Cp,gas	544.80	J/mol×K	838.44	Calculated Property
Cp,gas	573.50	J/mol×K	919.22	Calculated Property
Cp,gas	600.66	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanol, 3,3,5-trimethyl-, acetate, cis-.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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