- InChI
- InChI=1S/C19H19NO6/c1-2-3-12-25-18(21)15-6-8-16(9-7-15)19(22)26-13-14-4-10-17(11-5-14)20(23)24/h4-11H,2-3,12-13H2,1H3
- InChI Key
- ZTOUOOVGSJOTOL-UHFFFAOYSA-N
- Formula
- C19H19NO6
- SMILES
-
CCCCOC(=O)c1ccc(C(=O)OCc2ccc([
N+](=O)[O-])cc2)cc1 - Molecular Weight1
- 357.36
- 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).
- ΔfusH° : Enthalpy of fusion 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -117.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -485.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.67 | kJ/mol | Joback Calculated Property |
| log10WS | -5.97 | Crippen Calculated Property | |
| logPoct/wat | 3.909 | Crippen Calculated Property | |
| McVol | 263.350 | ml/mol | McGowan Calculated Property |
| Pc | 1880.53 | kPa | Joback Calculated Property |
| Inp | [1168.00; 1168.00] |
|
|
| Inp | 1168.00 | NIST | |
| Inp | 1168.00 | NIST | |
| Tboil | 1001.86 | K | Joback Calculated Property |
| Tc | 1247.36 | K | Joback Calculated Property |
| Tfus | 669.70 | K | Joback Calculated Property |
| Vc | 1.014 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [818.17; 857.04] | J/mol×K | [1001.86; 1247.36] |
|
| Cp,gas | 818.17 | J/mol×K | 1001.86 | Joback Calculated Property |
| Cp,gas | 828.01 | J/mol×K | 1042.78 | Joback Calculated Property |
| Cp,gas | 836.44 | J/mol×K | 1083.69 | Joback Calculated Property |
| Cp,gas | 843.51 | J/mol×K | 1124.61 | Joback Calculated Property |
| Cp,gas | 849.27 | J/mol×K | 1165.52 | Joback Calculated Property |
| Cp,gas | 853.77 | J/mol×K | 1206.44 | Joback Calculated Property |
| Cp,gas | 857.04 | J/mol×K | 1247.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, butyl 4-nitrobenzyl ester.
Sources
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