- InChI
- InChI=1S/C26H40O4/c1-3-5-7-9-10-11-12-13-14-16-21-30-26(28)24-19-17-18-23(22-24)25(27)29-20-15-8-6-4-2/h6,8,17-19,22H,3-5,7,9-16,20-21H2,1-2H3/b8-6+
- InChI Key
- KTVGKSFJJUMFRS-SOFGYWHQSA-N
- Formula
- C26H40O4
- SMILES
-
CCC=CCCOC(=O)c1cccc(C(=O)OCCCC
CCCCCCCC)c1 - 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° | -116.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -727.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.68 | kJ/mol | Joback Calculated Property |
| log10WS | -8.51 | Crippen Calculated Property | |
| logPoct/wat | 7.277 | Crippen Calculated Property | |
| McVol | 364.020 | ml/mol | McGowan Calculated Property |
| Pc | 944.42 | kPa | Joback Calculated Property |
| Inp | [3043.00; 3043.00] |
|
|
| Inp | 3043.00 | NIST | |
| Inp | 3043.00 | NIST | |
| Tboil | 982.68 | K | Joback Calculated Property |
| Tc | 1203.15 | K | Joback Calculated Property |
| Tfus | 560.96 | K | Joback Calculated Property |
| Vc | 1.411 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1215.28; 1299.34] | J/mol×K | [982.68; 1203.15] |
|
| Cp,gas | 1215.28 | J/mol×K | 982.68 | Joback Calculated Property |
| Cp,gas | 1232.52 | J/mol×K | 1019.43 | Joback Calculated Property |
| Cp,gas | 1248.39 | J/mol×K | 1056.17 | Joback Calculated Property |
| Cp,gas | 1262.94 | J/mol×K | 1092.92 | Joback Calculated Property |
| Cp,gas | 1276.23 | J/mol×K | 1129.66 | Joback Calculated Property |
| Cp,gas | 1288.35 | J/mol×K | 1166.41 | Joback Calculated Property |
| Cp,gas | 1299.34 | J/mol×K | 1203.15 | Joback Calculated Property |
| η | [0.0000200; 0.0002809] | Pa×s | [560.96; 982.68] |
|
| η | 0.0002809 | Pa×s | 560.96 | Joback Calculated Property |
| η | 0.0001416 | Pa×s | 631.25 | Joback Calculated Property |
| η | 0.0000818 | Pa×s | 701.53 | Joback Calculated Property |
| η | 0.0000523 | Pa×s | 771.82 | Joback Calculated Property |
| η | 0.0000360 | Pa×s | 842.11 | Joback Calculated Property |
| η | 0.0000262 | Pa×s | 912.39 | Joback Calculated Property |
| η | 0.0000200 | Pa×s | 982.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, dodecyl trans-hex-3-enyl ester.
Sources
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