- InChI
- InChI=1S/C25H38O4/c1-4-5-6-7-8-9-10-11-12-18-28-24(26)22-16-13-17-23(20-22)25(27)29-19-14-15-21(2)3/h11-13,16-17,20-21H,4-10,14-15,18-19H2,1-3H3/b12-11+
- InChI Key
- MRKHPAKVJPSULG-VAWYXSNFSA-N
- Formula
- C25H38O4
- SMILES
-
CCCCCCCCC=CCOC(=O)c1cccc(C(=O)
OCCCC(C)C)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° | -127.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -711.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.06 | kJ/mol | Joback Calculated Property |
| log10WS | -7.85 | Crippen Calculated Property | |
| logPoct/wat | 6.743 | Crippen Calculated Property | |
| McVol | 349.930 | ml/mol | McGowan Calculated Property |
| Pc | 1007.81 | kPa | Joback Calculated Property |
| Inp | [3005.00; 3005.00] |
|
|
| Inp | 3005.00 | NIST | |
| Inp | 3005.00 | NIST | |
| Tboil | 959.36 | K | Joback Calculated Property |
| Tc | 1175.05 | K | Joback Calculated Property |
| Tfus | 534.69 | K | Joback Calculated Property |
| Vc | 1.349 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1153.53; 1236.16] | J/mol×K | [959.36; 1175.05] |
|
| Cp,gas | 1153.53 | J/mol×K | 959.36 | Joback Calculated Property |
| Cp,gas | 1170.43 | J/mol×K | 995.31 | Joback Calculated Property |
| Cp,gas | 1185.99 | J/mol×K | 1031.26 | Joback Calculated Property |
| Cp,gas | 1200.29 | J/mol×K | 1067.21 | Joback Calculated Property |
| Cp,gas | 1213.38 | J/mol×K | 1103.15 | Joback Calculated Property |
| Cp,gas | 1225.32 | J/mol×K | 1139.10 | Joback Calculated Property |
| Cp,gas | 1236.16 | J/mol×K | 1175.05 | Joback Calculated Property |
| η | [0.0000212; 0.0003528] | Pa×s | [534.69; 959.36] |
|
| η | 0.0003528 | Pa×s | 534.69 | Joback Calculated Property |
| η | 0.0001679 | Pa×s | 605.47 | Joback Calculated Property |
| η | 0.0000933 | Pa×s | 676.25 | Joback Calculated Property |
| η | 0.0000580 | Pa×s | 747.02 | Joback Calculated Property |
| η | 0.0000391 | Pa×s | 817.80 | Joback Calculated Property |
| η | 0.0000281 | Pa×s | 888.58 | Joback Calculated Property |
| η | 0.0000212 | Pa×s | 959.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isohexyl undec-2-en-1-yl ester.
Sources
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