- InChI
- InChI=1S/C25H29NO4/c1-2-3-4-5-6-7-8-9-17-29-24(27)21-11-10-12-22(18-21)25(28)30-23-15-13-20(19-26)14-16-23/h10-16,18H,2-9,17H2,1H3
- InChI Key
- XAJUEYZKKKYKKW-UHFFFAOYSA-N
- Formula
- C25H29NO4
- SMILES
-
CCCCCCCCCCOC(=O)c1cccc(C(=O)Oc
2ccc(C#N)cc2)c1 - Molecular Weight1
- 407.50
- 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° | 30.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -433.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.91 | kJ/mol | Joback Calculated Property |
| log10WS | -7.92 | Crippen Calculated Property | |
| logPoct/wat | 6.075 | Crippen Calculated Property | |
| McVol | 331.850 | ml/mol | McGowan Calculated Property |
| Pc | 1173.63 | kPa | Joback Calculated Property |
| Inp | [3467.00; 3467.00] |
|
|
| Inp | 3467.00 | NIST | |
| Inp | 3467.00 | NIST | |
| Tboil | 1089.38 | K | Joback Calculated Property |
| Tc | 1334.14 | K | Joback Calculated Property |
| Tfus | 658.70 | K | Joback Calculated Property |
| Vc | 1.294 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1086.28; 1128.42] | J/mol×K | [1089.38; 1334.14] |
|
| Cp,gas | 1086.28 | J/mol×K | 1089.38 | Joback Calculated Property |
| Cp,gas | 1096.87 | J/mol×K | 1130.17 | Joback Calculated Property |
| Cp,gas | 1105.95 | J/mol×K | 1170.97 | Joback Calculated Property |
| Cp,gas | 1113.58 | J/mol×K | 1211.76 | Joback Calculated Property |
| Cp,gas | 1119.83 | J/mol×K | 1252.55 | Joback Calculated Property |
| Cp,gas | 1124.75 | J/mol×K | 1293.35 | Joback Calculated Property |
| Cp,gas | 1128.42 | J/mol×K | 1334.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 4-cyanophenyl decyl ester.
Sources
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