Chemical Properties of Octanoic acid, 2,3-epoxy-, methyl ester (CAS 116663-03-7)

InChI

InChI=1S/C9H16O3/c1-3-4-5-6-7-8(12-7)9(10)11-2/h7-8H,3-6H2,1-2H3

InChI Key

CBKAPKPTOHISFB-UHFFFAOYSA-N

Formula

C9H16O3

SMILES

CCCCCC1OC1C(=O)OC

Molecular Weight¹

172.22

CAS

116663-03-7

• 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	[208.93; 497.67]	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			-6.86600e+00
Coefficient B			9.25440e-01
Coefficient C			-5.22100e-04
Coefficient D			1.01200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	208.93	J/mol×K	273.00	Calculated Property
Cp,gas	259.67	J/mol×K	353.78	Calculated Property
Cp,gas	305.00	J/mol×K	434.56	Calculated Property
Cp,gas	345.24	J/mol×K	515.33	Calculated Property
Cp,gas	380.71	J/mol×K	596.11	Calculated Property
Cp,gas	411.72	J/mol×K	676.89	Calculated Property
Cp,gas	438.61	J/mol×K	757.67	Calculated Property
Cp,gas	461.68	J/mol×K	838.44	Calculated Property
Cp,gas	481.26	J/mol×K	919.22	Calculated Property
Cp,gas	497.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024496; 0.0005168]	Pa×s	[273.79; 473.19]	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			-9.70420e+00
Coefficient B			1.01094e+03
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.			273.79
Temperature range, max.			473.19
η	0.0024496	Pa×s	273.79	Calculated Property
η	0.0018580	Pa×s	295.95	Calculated Property
η	0.0014646	Pa×s	318.10	Calculated Property
η	0.0011908	Pa×s	340.26	Calculated Property
η	0.0009931	Pa×s	362.41	Calculated Property
η	0.0008456	Pa×s	384.57	Calculated Property
η	0.0007328	Pa×s	406.72	Calculated Property
η	0.0006445	Pa×s	428.88	Calculated Property
η	0.0005740	Pa×s	451.03	Calculated Property
η	0.0005168	Pa×s	473.19	Calculated Property

Similar Compounds

Find more compounds similar to Octanoic acid, 2,3-epoxy-, 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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