- InChI
- InChI=1S/C8H8N2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H,(H2,9,11)(H2,10,12)
- InChI Key
- QZUPTXGVPYNUIT-UHFFFAOYSA-N
- Formula
- C8H8N2O2
- SMILES
- NC(=O)c1cccc(C(N)=O)c1
- Molecular Weight1
- 164.16
- CAS
- 1740-57-4
- Other Names
-
- 1,3-Benzenedicarboxamide
- isophthaldiamide
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -3854.60 ± 0.96 | kJ/mol | NIST |
| ΔfG° | -5.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -382.00 ± 0.40 | kJ/mol | NIST |
| ΔfH°solid | -436.90 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 23.72 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 54.40 ± 4.20 | kJ/mol | NIST |
| ΔvapH° | 71.11 | kJ/mol | Joback Calculated Property |
| log10WS | -1.81 | Crippen Calculated Property | |
| logPoct/wat | -0.116 | Crippen Calculated Property | |
| McVol | 122.920 | ml/mol | McGowan Calculated Property |
| Pc | 4890.21 | kPa | Joback Calculated Property |
| Tboil | 666.90 | K | Joback Calculated Property |
| Tc | 914.95 | K | Joback Calculated Property |
| Tfus | 485.24 | K | Joback Calculated Property |
| Vc | 0.446 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.26; 350.01] | J/mol×K | [666.90; 914.95] | 
|
| Cp,gas | 303.26 | J/mol×K | 666.90 | Joback Calculated Property |
| Cp,gas | 312.95 | J/mol×K | 708.24 | Joback Calculated Property |
| Cp,gas | 321.83 | J/mol×K | 749.58 | Joback Calculated Property |
| Cp,gas | 329.94 | J/mol×K | 790.92 | Joback Calculated Property |
| Cp,gas | 337.31 | J/mol×K | 832.27 | Joback Calculated Property |
| Cp,gas | 343.99 | J/mol×K | 873.61 | Joback Calculated Property |
| Cp,gas | 350.01 | J/mol×K | 914.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalamide.
Sources
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