- InChI
- InChI=1S/C23H27NO7/c1-2-3-4-5-8-15-30-22(25)20-9-6-7-10-21(20)23(26)31-17-16-29-19-13-11-18(12-14-19)24(27)28/h6-7,9-14H,2-5,8,15-17H2,1H3
- InChI Key
- WHGFDFCNXFPWQI-UHFFFAOYSA-N
- Formula
- C23H27NO7
- SMILES
-
CCCCCCCOC(=O)c1ccccc1C(=O)OCCO
c1ccc([N+](=O)[O-])cc1 - Molecular Weight1
- 429.46
- 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° | -188.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -700.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.98 | kJ/mol | Joback Calculated Property |
| log10WS | -6.89 | Crippen Calculated Property | |
| logPoct/wat | 4.958 | Crippen Calculated Property | |
| McVol | 325.580 | ml/mol | McGowan Calculated Property |
| Pc | 1364.66 | kPa | Joback Calculated Property |
| Inp | [3736.00; 3736.00] |
|
|
| Inp | 3736.00 | NIST | |
| Inp | 3736.00 | NIST | |
| Tboil | 1115.80 | K | Joback Calculated Property |
| Tc | 1367.04 | K | Joback Calculated Property |
| Tfus | 737.01 | K | Joback Calculated Property |
| Vc | 1.256 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1074.73; 1097.76] | J/mol×K | [1115.80; 1367.04] |
|
| Cp,gas | 1074.73 | J/mol×K | 1115.80 | Joback Calculated Property |
| Cp,gas | 1082.85 | J/mol×K | 1157.67 | Joback Calculated Property |
| Cp,gas | 1089.16 | J/mol×K | 1199.55 | Joback Calculated Property |
| Cp,gas | 1093.72 | J/mol×K | 1241.42 | Joback Calculated Property |
| Cp,gas | 1096.58 | J/mol×K | 1283.29 | Joback Calculated Property |
| Cp,gas | 1097.76 | J/mol×K | 1325.17 | Joback Calculated Property |
| Cp,gas | 1097.33 | J/mol×K | 1367.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, heptyl 2-(4-nitrophenoxy)ethyl ester.
Sources
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