Chemical Properties of Acetic acid, 3,4-epoxy-6-methylcyclohexyl methyl ester

InChI

InChI=1S/C10H16O3/c1-6-3-9-10(13-9)4-8(6)5-12-7(2)11/h6,8-10H,3-5H2,1-2H3

InChI Key

OOLNWDDAWUWWTK-UHFFFAOYSA-N

Formula

C10H16O3

SMILES

CC(=O)OCC1CC2OC2CC1C

Molecular Weight¹

184.24

Other Names

• 3,4-Epoxy-6-methylcyclohexylmethyl acetate
• 4-Methyl-7-oxobicyclo(4.1.0)heptane-3-methanol, acetate
• 6-Methyl-3,4-epoxycyclohexylmethyl acetate
• 7-Oxabicyclo(4.1.0)heptane-3-methanol, 4-methyl-, 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[204.07; 537.44]	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			-5.71990e+01
Coefficient B			1.13524e+00
Coefficient C			-6.94900e-04
Coefficient D			1.54300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	204.07	J/mol×K	273.00	Calculated Property
Cp,gas	264.28	J/mol×K	353.78	Calculated Property
Cp,gas	317.56	J/mol×K	434.56	Calculated Property
Cp,gas	364.40	J/mol×K	515.33	Calculated Property
Cp,gas	405.28	J/mol×K	596.11	Calculated Property
Cp,gas	440.70	J/mol×K	676.89	Calculated Property
Cp,gas	471.13	J/mol×K	757.67	Calculated Property
Cp,gas	497.08	J/mol×K	838.44	Calculated Property
Cp,gas	519.02	J/mol×K	919.22	Calculated Property
Cp,gas	537.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019224; 0.0008779]	Pa×s	[295.24; 506.42]	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			-8.13379e+00
Coefficient B			5.54940e+02
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.			295.24
Temperature range, max.			506.42
η	0.0019224	Pa×s	295.24	Calculated Property
η	0.0016740	Pa×s	318.70	Calculated Property
η	0.0014856	Pa×s	342.17	Calculated Property
η	0.0013387	Pa×s	365.63	Calculated Property
η	0.0012216	Pa×s	389.10	Calculated Property
η	0.0011265	Pa×s	412.56	Calculated Property
η	0.0010478	Pa×s	436.03	Calculated Property
η	0.0009819	Pa×s	459.49	Calculated Property
η	0.0009259	Pa×s	482.95	Calculated Property
η	0.0008779	Pa×s	506.42	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, 3,4-epoxy-6-methylcyclohexyl methyl ester.

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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