- InChI
- InChI=1S/C26H40O4/c1-4-5-6-7-8-9-10-11-12-13-20-29-25(27)23-16-18-24(19-17-23)26(28)30-21-14-15-22(2)3/h12-13,16-19,22H,4-11,14-15,20-21H2,1-3H3/b13-12+
- InChI Key
- QDAQNHWDDQHSPE-OUKQBFOZSA-N
- Formula
- C26H40O4
- SMILES
-
CCCCCCCCCC=CCOC(=O)c1ccc(C(=O)
OCCCC(C)C)cc1 - Molecular Weight1
- 416.59
- 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° | -119.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -732.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.29 | kJ/mol | Joback Calculated Property |
| log10WS | -8.27 | Crippen Calculated Property | |
| logPoct/wat | 7.133 | Crippen Calculated Property | |
| McVol | 364.020 | ml/mol | McGowan Calculated Property |
| Pc | 949.08 | kPa | Joback Calculated Property |
| Inp | [3183.00; 3183.00] |
|
|
| Inp | 3183.00 | NIST | |
| Inp | 3183.00 | NIST | |
| Tboil | 982.24 | K | Joback Calculated Property |
| Tc | 1202.54 | K | Joback Calculated Property |
| Tfus | 545.96 | K | Joback Calculated Property |
| Vc | 1.405 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1215.64; 1299.11] | J/mol×K | [982.24; 1202.54] |
|
| Cp,gas | 1215.64 | J/mol×K | 982.24 | Joback Calculated Property |
| Cp,gas | 1232.81 | J/mol×K | 1018.96 | Joback Calculated Property |
| Cp,gas | 1248.59 | J/mol×K | 1055.67 | Joback Calculated Property |
| Cp,gas | 1263.05 | J/mol×K | 1092.39 | Joback Calculated Property |
| Cp,gas | 1276.25 | J/mol×K | 1129.10 | Joback Calculated Property |
| Cp,gas | 1288.24 | J/mol×K | 1165.82 | Joback Calculated Property |
| Cp,gas | 1299.11 | J/mol×K | 1202.54 | Joback Calculated Property |
| η | [0.0000182; 0.0003119] | Pa×s | [545.96; 982.24] |
|
| η | 0.0003119 | Pa×s | 545.96 | Joback Calculated Property |
| η | 0.0001471 | Pa×s | 618.67 | Joback Calculated Property |
| η | 0.0000812 | Pa×s | 691.39 | Joback Calculated Property |
| η | 0.0000502 | Pa×s | 764.10 | Joback Calculated Property |
| η | 0.0000338 | Pa×s | 836.81 | Joback Calculated Property |
| η | 0.0000242 | Pa×s | 909.53 | Joback Calculated Property |
| η | 0.0000182 | Pa×s | 982.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, dodec-2-enyl isohexyl ester.
Sources
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