- InChI
- InChI=1S/C20H21NO7/c1-2-3-12-27-19(22)17-6-4-5-7-18(17)20(23)28-14-13-26-16-10-8-15(9-11-16)21(24)25/h4-11H,2-3,12-14H2,1H3
- InChI Key
- CJLHBYZWCIBCJL-UHFFFAOYSA-N
- Formula
- C20H21NO7
- SMILES
-
CCCCOC(=O)c1ccccc1C(=O)OCCOc1c
cc([N+](=O)[O-])cc1 - Molecular Weight1
- 387.38
- 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° | -214.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -638.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.30 | kJ/mol | Joback Calculated Property |
| log10WS | -5.63 | Crippen Calculated Property | |
| logPoct/wat | 3.788 | Crippen Calculated Property | |
| McVol | 283.310 | ml/mol | McGowan Calculated Property |
| Pc | 1708.95 | kPa | Joback Calculated Property |
| Inp | [3429.00; 3429.00] |
|
|
| Inp | 3429.00 | NIST | |
| Inp | 3429.00 | NIST | |
| Tboil | 1047.16 | K | Joback Calculated Property |
| Tc | 1292.40 | K | Joback Calculated Property |
| Tfus | 703.20 | K | Joback Calculated Property |
| Vc | 1.087 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [899.67; 926.89] | J/mol×K | [1047.16; 1292.40] |
|
| Cp,gas | 899.67 | J/mol×K | 1047.16 | Joback Calculated Property |
| Cp,gas | 908.19 | J/mol×K | 1088.03 | Joback Calculated Property |
| Cp,gas | 915.08 | J/mol×K | 1128.91 | Joback Calculated Property |
| Cp,gas | 920.37 | J/mol×K | 1169.78 | Joback Calculated Property |
| Cp,gas | 924.08 | J/mol×K | 1210.65 | Joback Calculated Property |
| Cp,gas | 926.25 | J/mol×K | 1251.53 | Joback Calculated Property |
| Cp,gas | 926.89 | J/mol×K | 1292.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, butyl 2-(4-nitrophenoxy)ethyl ester.
Sources
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