- InChI
- InChI=1S/C23H27NO6/c1-2-3-4-5-10-16-29-22(25)19-12-7-8-13-20(19)23(26)30-17-15-18-11-6-9-14-21(18)24(27)28/h6-9,11-14H,2-5,10,15-17H2,1H3
- InChI Key
- ORMVQFLBOKRHIW-UHFFFAOYSA-N
- Formula
- C23H27NO6
- SMILES
-
CCCCCCCOC(=O)c1ccccc1C(=O)OCCc
1ccccc1[N+](=O)[O-] - Molecular Weight1
- 413.46
- 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 | 1.1434 | Relay (... Calculated Property | |
| ΔfG° | -83.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -647.52 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 59.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.19 | kJ/mol | Relay (... Calculated Property |
| IE | 9.13 | eV | Relay (... Calculated Property |
| log10WS | -6.33 | Relay (... Calculated Property | |
| logPoct/wat | 5.121 | Crippen Calculated Property | |
| McVol | 319.710 | ml/mol | McGowan Calculated Property |
| Pc | 1381.96 | kPa | Joback Calculated Property |
| Inp | 3142.00 | NIST | |
| Tboil | 700.84 | K | Relay (... Calculated Property |
| Tc | 982.74 | K | Relay (... Calculated Property |
| Tfus | 294.00 | K | Relay (... Calculated Property |
| Vc | 1.164 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1052.16; 1089.60] | J/mol×K | [1093.38; 1341.38] | 
|
| Cp,gas | 1052.16 | J/mol×K | 1093.38 | Joback Calculated Property |
| Cp,gas | 1061.98 | J/mol×K | 1134.71 | Joback Calculated Property |
| Cp,gas | 1070.28 | J/mol×K | 1176.05 | Joback Calculated Property |
| Cp,gas | 1077.12 | J/mol×K | 1217.38 | Joback Calculated Property |
| Cp,gas | 1082.58 | J/mol×K | 1258.71 | Joback Calculated Property |
| Cp,gas | 1086.72 | J/mol×K | 1300.04 | Joback Calculated Property |
| Cp,gas | 1089.60 | J/mol×K | 1341.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, heptyl 2-(2-nitrophenyl)ethyl ester.
Sources
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