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

InChI

InChI=1S/C8H12O5/c1-12-8(11)7-5(13-7)3-2-4-6(9)10/h5,7H,2-4H2,1H3,(H,9,10)

InChI Key

FSHLQCGOAFXLCO-UHFFFAOYSA-N

Formula

C8H12O5

SMILES

COC(=O)C1OC1CCCC(=O)O

Molecular Weight¹

188.18

• 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[201.33; 456.86]	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			-1.35700e+00
Coefficient B			8.81220e-01
Coefficient C			-5.40300e-04
Coefficient D			1.17300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	201.33	J/mol×K	273.00	Calculated Property
Cp,gas	247.97	J/mol×K	353.78	Calculated Property
Cp,gas	289.18	J/mol×K	434.56	Calculated Property
Cp,gas	325.33	J/mol×K	515.33	Calculated Property
Cp,gas	356.80	J/mol×K	596.11	Calculated Property
Cp,gas	383.96	J/mol×K	676.89	Calculated Property
Cp,gas	407.17	J/mol×K	757.67	Calculated Property
Cp,gas	426.81	J/mol×K	838.44	Calculated Property
Cp,gas	443.25	J/mol×K	919.22	Calculated Property
Cp,gas	456.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018518; 0.0006592]	Pa×s	[423.12; 571.20]	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			-1.02756e+01
Coefficient B			1.68572e+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.			423.12
Temperature range, max.			571.20
η	0.0018518	Pa×s	423.12	Calculated Property
η	0.0015953	Pa×s	439.57	Calculated Property
η	0.0013891	Pa×s	456.03	Calculated Property
η	0.0012214	Pa×s	472.48	Calculated Property
η	0.0010832	Pa×s	488.93	Calculated Property
η	0.0009682	Pa×s	505.39	Calculated Property
η	0.0008715	Pa×s	521.84	Calculated Property
η	0.0007896	Pa×s	538.29	Calculated Property
η	0.0007196	Pa×s	554.75	Calculated Property
η	0.0006592	Pa×s	571.20	Calculated Property

Similar Compounds

Find more compounds similar to 3-(3-Carboxy-propyl)-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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