- InChI
- InChI=1S/C25H31NO6/c1-2-3-4-5-6-7-12-18-31-24(27)21-14-9-10-15-22(21)25(28)32-19-17-20-13-8-11-16-23(20)26(29)30/h8-11,13-16H,2-7,12,17-19H2,1H3
- InChI Key
- LCGSVKVIUAPKGA-UHFFFAOYSA-N
- Formula
- C25H31NO6
- SMILES
-
CCCCCCCCCOC(=O)c1ccccc1C(=O)OC
Cc1ccccc1[N+](=O)[O-] - Molecular Weight1
- 441.52
- 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 | 1.2245 | Relay (... Calculated Property | |
| ΔfG° | -67.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -691.96 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 64.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.58 | kJ/mol | Relay (... Calculated Property |
| IE | 9.14 | eV | Relay (... Calculated Property |
| log10WS | -6.94 | Relay (... Calculated Property | |
| logPoct/wat | 5.902 | Crippen Calculated Property | |
| McVol | 347.890 | ml/mol | McGowan Calculated Property |
| Pc | 1203.96 | kPa | Joback Calculated Property |
| Inp | 3348.00 | NIST | |
| Tboil | 714.51 | K | Relay (... Calculated Property |
| Tc | 994.99 | K | Relay (... Calculated Property |
| Tfus | 297.28 | K | Relay (... Calculated Property |
| Vc | 1.272 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1171.56; 1207.68] | J/mol×K | [1139.14; 1394.65] | 
|
| Cp,gas | 1171.56 | J/mol×K | 1139.14 | Joback Calculated Property |
| Cp,gas | 1181.35 | J/mol×K | 1181.72 | Joback Calculated Property |
| Cp,gas | 1189.52 | J/mol×K | 1224.31 | Joback Calculated Property |
| Cp,gas | 1196.16 | J/mol×K | 1266.89 | Joback Calculated Property |
| Cp,gas | 1201.34 | J/mol×K | 1309.48 | Joback Calculated Property |
| Cp,gas | 1205.15 | J/mol×K | 1352.06 | Joback Calculated Property |
| Cp,gas | 1207.68 | J/mol×K | 1394.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2-(2-nitrophenyl)ethyl nonyl ester.
Sources
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