- InChI
- InChI=1S/C25H38O4/c1-3-5-7-9-10-11-12-13-15-20-29-25(27)23-18-16-17-22(21-23)24(26)28-19-14-8-6-4-2/h13,15-18,21H,3-12,14,19-20H2,1-2H3/b15-13+
- InChI Key
- TWRFMHWKIIECRB-FYWRMAATSA-N
- Formula
- C25H38O4
- SMILES
-
CCCCCCCCC=CCOC(=O)c1cccc(C(=O)
OCCCCCC)c1 - Molecular Weight1
- 402.57
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -125.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -706.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.45 | kJ/mol | Joback Calculated Property |
| log10WS | -8.09 | Crippen Calculated Property | |
| logPoct/wat | 6.887 | Crippen Calculated Property | |
| McVol | 349.930 | ml/mol | McGowan Calculated Property |
| Pc | 1002.71 | kPa | Joback Calculated Property |
| Inp | [3059.00; 3059.00] |
|
|
| Inp | 3059.00 | NIST | |
| Inp | 3059.00 | NIST | |
| Tboil | 959.80 | K | Joback Calculated Property |
| Tc | 1175.26 | K | Joback Calculated Property |
| Tfus | 549.69 | K | Joback Calculated Property |
| Vc | 1.355 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1153.14; 1236.18] | J/mol×K | [959.80; 1175.26] |
|
| Cp,gas | 1153.14 | J/mol×K | 959.80 | Joback Calculated Property |
| Cp,gas | 1170.06 | J/mol×K | 995.71 | Joback Calculated Property |
| Cp,gas | 1185.67 | J/mol×K | 1031.62 | Joback Calculated Property |
| Cp,gas | 1200.03 | J/mol×K | 1067.53 | Joback Calculated Property |
| Cp,gas | 1213.20 | J/mol×K | 1103.44 | Joback Calculated Property |
| Cp,gas | 1225.23 | J/mol×K | 1139.35 | Joback Calculated Property |
| Cp,gas | 1236.18 | J/mol×K | 1175.26 | Joback Calculated Property |
| η | [0.0000233; 0.0003167] | Pa×s | [549.69; 959.80] |
|
| η | 0.0003167 | Pa×s | 549.69 | Joback Calculated Property |
| η | 0.0001611 | Pa×s | 618.04 | Joback Calculated Property |
| η | 0.0000938 | Pa×s | 686.39 | Joback Calculated Property |
| η | 0.0000602 | Pa×s | 754.74 | Joback Calculated Property |
| η | 0.0000416 | Pa×s | 823.10 | Joback Calculated Property |
| η | 0.0000304 | Pa×s | 891.45 | Joback Calculated Property |
| η | 0.0000233 | Pa×s | 959.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, hexyl undec-2-en-1-yl ester.
Sources
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