Chemical Properties of Terephthalamide (CAS 3010-82-0)

InChI

InChI=1S/C8H8N2O2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h1-4H,(H2,9,11)(H2,10,12)

InChI Key

MHSKRLJMQQNJNC-UHFFFAOYSA-N

Formula

C8H8N2O2

SMILES

NC(=O)c1ccc(C(N)=O)cc1

Molecular Weight¹

164.16

CAS

3010-82-0

Other Names

• 1,4-Benzenedicarboxamide
• Terephthalamimidic acid
• Terephthaldiamide
• Terephthalic acid diamide
• Terephthalic diamide
• p-Carbamoylbenzamide
• p-Phthalamide

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[163.08; 360.47]	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			3.71000e+00
Coefficient B			6.93200e-01
Coefficient C			-4.24960e-04
Coefficient D			8.85200e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	163.08	J/mol×K	273.00	Calculated Property
Cp,gas	199.68	J/mol×K	353.78	Calculated Property
Cp,gas	231.96	J/mol×K	434.56	Calculated Property
Cp,gas	260.20	J/mol×K	515.33	Calculated Property
Cp,gas	284.68	J/mol×K	596.11	Calculated Property
Cp,gas	305.68	J/mol×K	676.89	Calculated Property
Cp,gas	323.47	J/mol×K	757.67	Calculated Property
Cp,gas	338.35	J/mol×K	838.44	Calculated Property
Cp,gas	350.59	J/mol×K	919.22	Calculated Property
Cp,gas	360.47	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Terephthalamide.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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