- InChI
- InChI=1S/C22H20N2O4/c1-27-19-7-3-5-17(13-19)23-21(25)15-9-11-16(12-10-15)22(26)24-18-6-4-8-20(14-18)28-2/h3-14H,1-2H3,(H,23,25)(H,24,26)
- InChI Key
- BTEAFZRBSOWUOB-UHFFFAOYSA-N
- Formula
- C22H20N2O4
- SMILES
-
COc1cccc(NC(=O)c2ccc(C(=O)Nc3c
ccc(OC)c3)cc2)c1 - Molecular Weight1
- 376.41
- CAS
- 6957-81-9
- Other Names
-
- 3',3''-3,3'-Dimethoxy terephthalanilide
- 3,3'-Dimethoxy terephthalanilide
- N,N'-Bis-(m-methoxyphenyl)terphtalamide
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -10966.30 ± 3.00 | kJ/mol | NIST |
| ΔfH°gas | -340.00 ± 8.80 | kJ/mol | NIST |
| ΔfH°solid | -549.20 ± 3.20 | kJ/mol | NIST |
| ΔfusH° | 49.46 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 209.00 ± 8.40 | kJ/mol | NIST |
| ΔvapH° | 138.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.208 | Crippen Calculated Property | |
| McVol | 284.400 | ml/mol | McGowan Calculated Property |
| Pc | 1950.95 | kPa | Joback Calculated Property |
| Tboil | 742.05 | K | Relay (1.0) Calculated Property |
| Tc | 1127.50 | K | Relay (1.0) Calculated Property |
| Tfus | 484.08 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, 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
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [891.42; 924.31] | J/mol×K | [1050.66; 1302.73] | 
|
| Cp,gas | 891.42 | J/mol×K | 1050.66 | Joback Calculated Property |
| Cp,gas | 900.44 | J/mol×K | 1092.67 | Joback Calculated Property |
| Cp,gas | 907.96 | J/mol×K | 1134.68 | Joback Calculated Property |
| Cp,gas | 914.04 | J/mol×K | 1176.70 | Joback Calculated Property |
| Cp,gas | 918.75 | J/mol×K | 1218.71 | Joback Calculated Property |
| Cp,gas | 922.15 | J/mol×K | 1260.72 | Joback Calculated Property |
| Cp,gas | 924.31 | J/mol×K | 1302.73 | Joback Calculated Property |
| Cp,solid | 458.10 | J/mol×K | 298.15 | NIST |
| ΔsubH | 209.20 ± 8.40 | kJ/mol | 190.00 | NIST |
Similar Compounds
Find more compounds similar to m-Terephthalanisidide.
Sources
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