Chemical Properties of 1,2-Cyclobutanedicarboxylic acid, trans- (CAS 1124-13-6)

InChI

InChI=1S/C6H8O4/c7-5(8)3-1-2-4(3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4-/m0/s1

InChI Key

SUSAGCZZQKACKE-IMJSIDKUSA-N

Formula

C6H8O4

SMILES

O=C(O)C1CCC1C(=O)O

Molecular Weight¹

144.13

CAS

1124-13-6

Other Names

• trans-1,2-Cyclobutanedicarboxylic Acid
• USAF st-3
• 1,2-Cyclobutanedicarboxylic acid, (E)-
• (E)-1,2-Cyclobutanedicarboxylic acid
• trans-cyclobutane-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).
• IE : Ionization energy (eV).
• 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).
• 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 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	[133.94; 338.61]	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			-4.27900e+01
Coefficient B			7.90200e-01
Coefficient C			-5.66200e-04
Coefficient D			1.57400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	133.94	J/mol×K	273.00	Calculated Property
Cp,gas	172.87	J/mol×K	353.78	Calculated Property
Cp,gas	206.59	J/mol×K	434.56	Calculated Property
Cp,gas	235.60	J/mol×K	515.33	Calculated Property
Cp,gas	260.40	J/mol×K	596.11	Calculated Property
Cp,gas	281.48	J/mol×K	676.89	Calculated Property
Cp,gas	299.35	J/mol×K	757.67	Calculated Property
Cp,gas	314.49	J/mol×K	838.44	Calculated Property
Cp,gas	327.41	J/mol×K	919.22	Calculated Property
Cp,gas	338.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012692; 0.0006221]	Pa×s	[488.76; 601.21]	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			-1.04813e+01
Coefficient B			1.86312e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			488.76
Temperature range, max.			601.21
η	0.0012692	Pa×s	488.76	Calculated Property
η	0.0011541	Pa×s	501.25	Calculated Property
η	0.0010544	Pa×s	513.75	Calculated Property
η	0.0009674	Pa×s	526.24	Calculated Property
η	0.0008912	Pa×s	538.74	Calculated Property
η	0.0008240	Pa×s	551.23	Calculated Property
η	0.0007645	Pa×s	563.72	Calculated Property
η	0.0007116	Pa×s	576.22	Calculated Property
η	0.0006644	Pa×s	588.71	Calculated Property
η	0.0006221	Pa×s	601.21	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclobutanedicarboxylic acid, trans-.

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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