- InChI
- InChI=1S/C19H19NO7/c1-2-11-26-18(21)14-3-5-15(6-4-14)19(22)27-13-12-25-17-9-7-16(8-10-17)20(23)24/h3-10H,2,11-13H2,1H3
- InChI Key
- NCDRNUHRCVASAC-UHFFFAOYSA-N
- Formula
- C19H19NO7
- SMILES
-
CCCOC(=O)c1ccc(C(=O)OCCOc2ccc(
[N+](=O)[O-])cc2)cc1 - Molecular Weight1
- 373.36
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 1.0537 | Relay (1.0) Calculated Property | |
| ΔfG° | -222.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -716.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.397 | Crippen Calculated Property | |
| McVol | 269.220 | ml/mol | McGowan Calculated Property |
| Pc | 1853.11 | kPa | Joback Calculated Property |
| Inp | 3236.00 | NIST | |
| Tboil | 694.36 | K | Relay (1.0) Calculated Property |
| Tc | 956.90 | K | Relay (1.0) Calculated Property |
| Tfus | 353.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.982 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [842.07; 870.35] | J/mol×K | [1024.28; 1269.52] | 
|
| Cp,gas | 842.07 | J/mol×K | 1024.28 | Joback Calculated Property |
| Cp,gas | 850.68 | J/mol×K | 1065.15 | Joback Calculated Property |
| Cp,gas | 857.71 | J/mol×K | 1106.03 | Joback Calculated Property |
| Cp,gas | 863.16 | J/mol×K | 1146.90 | Joback Calculated Property |
| Cp,gas | 867.07 | J/mol×K | 1187.77 | Joback Calculated Property |
| Cp,gas | 869.46 | J/mol×K | 1228.64 | Joback Calculated Property |
| Cp,gas | 870.35 | J/mol×K | 1269.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, 2-(4-nitrophenoxy)ethyl propyl ester.
Sources
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