Chemical Properties of trans-1,2-Cyclopropanedicarboxylic acid (CAS 696-75-3)

InChI

InChI=1S/C5H6O4/c6-4(7)2-1-3(2)5(8)9/h2-3H,1H2,(H,6,7)(H,8,9)/t2-,3-/m1/s1

InChI Key

RLWFMZKPPHHHCB-PWNYCUMCSA-N

Formula

C5H6O4

SMILES

O=C(O)C1CC1C(=O)O

Molecular Weight¹

130.10

CAS

696-75-3

Other Names

• 1,2-Cyclopropanedicarboxylic acid, trans-
• 1,2-Cyclopropanedicarboxylic acid, (E)-

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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, 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	[117.62; 285.24]	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			-3.67600e+01
Coefficient B			7.04800e-01
Coefficient C			-5.58200e-04
Coefficient D			1.75400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	117.62	J/mol×K	273.00	Calculated Property
Cp,gas	150.49	J/mol×K	353.78	Calculated Property
Cp,gas	178.50	J/mol×K	434.56	Calculated Property
Cp,gas	202.21	J/mol×K	515.33	Calculated Property
Cp,gas	222.18	J/mol×K	596.11	Calculated Property
Cp,gas	238.95	J/mol×K	676.89	Calculated Property
Cp,gas	253.09	J/mol×K	757.67	Calculated Property
Cp,gas	265.15	J/mol×K	838.44	Calculated Property
Cp,gas	275.68	J/mol×K	919.22	Calculated Property
Cp,gas	285.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014277; 0.0008223]	Pa×s	[481.01; 579.95]	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			-9.78570e+00
Coefficient B			1.55559e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			481.01
Temperature range, max.			579.95
η	0.0014277	Pa×s	481.01	Calculated Property
η	0.0013282	Pa×s	492.00	Calculated Property
η	0.0012395	Pa×s	503.00	Calculated Property
η	0.0011602	Pa×s	513.99	Calculated Property
η	0.0010889	Pa×s	524.98	Calculated Property
η	0.0010247	Pa×s	535.97	Calculated Property
η	0.0009667	Pa×s	546.97	Calculated Property
η	0.0009140	Pa×s	557.96	Calculated Property
η	0.0008660	Pa×s	568.95	Calculated Property
η	0.0008223	Pa×s	579.95	Calculated Property

Similar Compounds

Find more compounds similar to trans-1,2-Cyclopropanedicarboxylic 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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