- InChI
- InChI=1S/C19H19NO6/c1-3-10-25-18(21)15-6-8-16(9-7-15)19(22)26-12-14-5-4-13(2)17(11-14)20(23)24/h4-9,11H,3,10,12H2,1-2H3
- InChI Key
- OPPSFJLGGGUUQK-UHFFFAOYSA-N
- Formula
- C19H19NO6
- SMILES
-
CCCOC(=O)c1ccc(C(=O)OCc2ccc(C)
c([N+](=O)[O-])c2)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° | -127.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -497.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.33 | kJ/mol | Joback Calculated Property |
| log10WS | -6.03 | Crippen Calculated Property | |
| logPoct/wat | 3.827 | Crippen Calculated Property | |
| McVol | 263.350 | ml/mol | McGowan Calculated Property |
| Pc | 1856.31 | kPa | Joback Calculated Property |
| Inp | 3023.00 | NIST | |
| Tboil | 1006.84 | K | Joback Calculated Property |
| Tc | 1253.08 | K | Joback Calculated Property |
| Tfus | 682.22 | K | Joback Calculated Property |
| Vc | 1.014 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [816.41; 853.44] | J/mol×K | [1006.84; 1253.08] | 
|
| Cp,gas | 816.41 | J/mol×K | 1006.84 | Joback Calculated Property |
| Cp,gas | 826.07 | J/mol×K | 1047.88 | Joback Calculated Property |
| Cp,gas | 834.29 | J/mol×K | 1088.92 | Joback Calculated Property |
| Cp,gas | 841.10 | J/mol×K | 1129.96 | Joback Calculated Property |
| Cp,gas | 846.54 | J/mol×K | 1171.00 | Joback Calculated Property |
| Cp,gas | 850.64 | J/mol×K | 1212.04 | Joback Calculated Property |
| Cp,gas | 853.44 | J/mol×K | 1253.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, 3-nitro-4-methylbenzyl propyl ester.
Sources
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