Chemical Properties of Cyclopropanecarboxylic acid, 2,3-dimethyl-, methyl ester (CAS 72258-11-8)

InChI

InChI=1S/C7H12O2/c1-4-5(2)6(4)7(8)9-3/h4-6H,1-3H3

InChI Key

KQVXZDVLCHFJMZ-UHFFFAOYSA-N

Formula

C7H12O2

SMILES

COC(=O)C1C(C)C1C

Molecular Weight¹

128.17

CAS

72258-11-8

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[151.40; 381.63]	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			-1.64300e+01
Coefficient B			7.11960e-01
Coefficient C			-3.71800e-04
Coefficient D			5.79000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	151.40	J/mol×K	273.00	Calculated Property
Cp,gas	191.48	J/mol×K	353.78	Calculated Property
Cp,gas	227.50	J/mol×K	434.56	Calculated Property
Cp,gas	259.65	J/mol×K	515.33	Calculated Property
Cp,gas	288.12	J/mol×K	596.11	Calculated Property
Cp,gas	313.09	J/mol×K	676.89	Calculated Property
Cp,gas	334.75	J/mol×K	757.67	Calculated Property
Cp,gas	353.26	J/mol×K	838.44	Calculated Property
Cp,gas	368.83	J/mol×K	919.22	Calculated Property
Cp,gas	381.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007930; 0.0003737]	Pa×s	[220.44; 421.14]	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			-8.71863e+00
Coefficient B			3.48060e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			220.44
Temperature range, max.			421.14
η	0.0007930	Pa×s	220.44	Calculated Property
η	0.0006859	Pa×s	242.74	Calculated Property
η	0.0006080	Pa×s	265.04	Calculated Property
η	0.0005491	Pa×s	287.34	Calculated Property
η	0.0005032	Pa×s	309.64	Calculated Property
η	0.0004666	Pa×s	331.94	Calculated Property
η	0.0004368	Pa×s	354.24	Calculated Property
η	0.0004121	Pa×s	376.54	Calculated Property
η	0.0003913	Pa×s	398.84	Calculated Property
η	0.0003737	Pa×s	421.14	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, 2,3-dimethyl-, 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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