Chemical Properties of 3-Methylenecyclopropane-trans-1,2-dicarboxylic acid (CAS 499-02-5)

InChI

InChI=1S/C6H6O4/c1-2-3(5(7)8)4(2)6(9)10/h3-4H,1H2,(H,7,8)(H,9,10)/t3-,4-/m1/s1

InChI Key

XZVHROKAQFFOCA-QWWZWVQMSA-N

Formula

C6H6O4

SMILES

C=C1C(C(=O)O)C1C(=O)O

Molecular Weight¹

142.11

CAS

499-02-5

Other Names

• trans-1-Methylene cyclopropane-2,3-dicarboxylic acid
• 1,2-Cyclopropanedicarboxylic acid, 3-methylene-, trans-
• 3-Methylenecyclopropane-1,2-dicarboxylic acid, trans-
• 3-Methylene-cyclopropane-1,2-dicarboxylic acid
• Feist'S acid
• dl-3-Methylenecyclopropane-trans-1,2-dicarboxylic acid
• trans-3-methylenecyclopropane-1,2-dicarboxylic acid

• 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	[135.34; 304.92]	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			-1.53800e+01
Coefficient B			6.82300e-01
Coefficient C			-5.20200e-04
Coefficient D			1.58200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	135.34	J/mol×K	273.00	Calculated Property
Cp,gas	167.90	J/mol×K	353.78	Calculated Property
Cp,gas	195.87	J/mol×K	434.56	Calculated Property
Cp,gas	219.73	J/mol×K	515.33	Calculated Property
Cp,gas	240.01	J/mol×K	596.11	Calculated Property
Cp,gas	257.18	J/mol×K	676.89	Calculated Property
Cp,gas	271.76	J/mol×K	757.67	Calculated Property
Cp,gas	284.24	J/mol×K	838.44	Calculated Property
Cp,gas	295.13	J/mol×K	919.22	Calculated Property
Cp,gas	304.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014060; 0.0009073]	Pa×s	[505.96; 593.87]	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			-9.52640e+00
Coefficient B			1.49733e+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.			505.96
Temperature range, max.			593.87
η	0.0014060	Pa×s	505.96	Calculated Property
η	0.0013294	Pa×s	515.73	Calculated Property
η	0.0012595	Pa×s	525.49	Calculated Property
η	0.0011957	Pa×s	535.26	Calculated Property
η	0.0011372	Pa×s	545.03	Calculated Property
η	0.0010835	Pa×s	554.80	Calculated Property
η	0.0010341	Pa×s	564.56	Calculated Property
η	0.0009885	Pa×s	574.33	Calculated Property
η	0.0009463	Pa×s	584.10	Calculated Property
η	0.0009073	Pa×s	593.87	Calculated Property

Similar Compounds

Find more compounds similar to 3-Methylenecyclopropane-trans-1,2-dicarboxylic acid.

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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