Chemical Properties of 7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 4-methyl-, 4-methyl-7-oxabicyclo-[4.1.0]heptyl methyl ester

InChI

InChI=1S/C16H24O4/c1-8-3-12-14(19-12)5-10(8)7-18-16(17)11-6-15-13(20-15)4-9(11)2/h8-15H,3-7H2,1-2H3

InChI Key

GRWFFFOEIHGUBG-UHFFFAOYSA-N

Formula

C16H24O4

SMILES

CC1CC2OC2CC1COC(=O)C1CC2OC2CC1C

Molecular Weight¹

280.36

• 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	[301.47; 841.08]	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			-1.39059e+02
Coefficient B			1.94144e+00
Coefficient C			-1.29060e-03
Coefficient D			3.29300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	301.47	J/mol×K	273.00	Calculated Property
Cp,gas	400.83	J/mol×K	353.78	Calculated Property
Cp,gas	487.91	J/mol×K	434.56	Calculated Property
Cp,gas	563.75	J/mol×K	515.33	Calculated Property
Cp,gas	629.40	J/mol×K	596.11	Calculated Property
Cp,gas	685.88	J/mol×K	676.89	Calculated Property
Cp,gas	734.25	J/mol×K	757.67	Calculated Property
Cp,gas	775.55	J/mol×K	838.44	Calculated Property
Cp,gas	810.81	J/mol×K	919.22	Calculated Property
Cp,gas	841.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0056343; 0.0054784]	Pa×s	[413.31; 636.55]	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			-5.25891e+00
Coefficient B			3.30800e+01
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.			413.31
Temperature range, max.			636.55
η	0.0056343	Pa×s	413.31	Calculated Property
η	0.0056089	Pa×s	438.11	Calculated Property
η	0.0055862	Pa×s	462.92	Calculated Property
η	0.0055660	Pa×s	487.72	Calculated Property
η	0.0055477	Pa×s	512.53	Calculated Property
η	0.0055312	Pa×s	537.33	Calculated Property
η	0.0055162	Pa×s	562.14	Calculated Property
η	0.0055025	Pa×s	586.94	Calculated Property
η	0.0054899	Pa×s	611.74	Calculated Property
η	0.0054784	Pa×s	636.55	Calculated Property

Similar Compounds

Find more compounds similar to 7-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, 4-methyl-, 4-methyl-7-oxabicyclo-[4.1.0]heptyl 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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