Chemical Properties of 3-(2-Carboxy-ethyl)-oxirane-2-carboxylic acid methyl ester

InChI

InChI=1S/C7H10O5/c1-11-7(10)6-4(12-6)2-3-5(8)9/h4,6H,2-3H2,1H3,(H,8,9)

InChI Key

TZJFDVISKBEVHZ-UHFFFAOYSA-N

Formula

C7H10O5

SMILES

COC(=O)C1OC1CCC(=O)O

Molecular Weight¹

174.15

• 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

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	[180.12; 405.27]	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			-4.48000e-01
Coefficient B			7.86220e-01
Coefficient C			-4.85900e-04
Coefficient D			1.05400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.12	J/mol×K	273.00	Calculated Property
Cp,gas	221.55	J/mol×K	353.78	Calculated Property
Cp,gas	258.10	J/mol×K	434.56	Calculated Property
Cp,gas	290.10	J/mol×K	515.33	Calculated Property
Cp,gas	317.89	J/mol×K	596.11	Calculated Property
Cp,gas	341.79	J/mol×K	676.89	Calculated Property
Cp,gas	362.15	J/mol×K	757.67	Calculated Property
Cp,gas	379.30	J/mol×K	838.44	Calculated Property
Cp,gas	393.56	J/mol×K	919.22	Calculated Property
Cp,gas	405.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018554; 0.0006770]	Pa×s	[411.85; 557.22]	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			-1.01541e+01
Coefficient B			1.59156e+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.			411.85
Temperature range, max.			557.22
η	0.0018554	Pa×s	411.85	Calculated Property
η	0.0016036	Pa×s	428.00	Calculated Property
η	0.0014008	Pa×s	444.15	Calculated Property
η	0.0012353	Pa×s	460.31	Calculated Property
η	0.0010987	Pa×s	476.46	Calculated Property
η	0.0009847	Pa×s	492.61	Calculated Property
η	0.0008887	Pa×s	508.76	Calculated Property
η	0.0008071	Pa×s	524.91	Calculated Property
η	0.0007373	Pa×s	541.06	Calculated Property
η	0.0006770	Pa×s	557.22	Calculated Property

Similar Compounds

Find more compounds similar to 3-(2-Carboxy-ethyl)-oxirane-2-carboxylic acid 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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