- InChI
- InChI=1S/C26H40O4/c1-3-5-7-8-9-10-11-12-13-14-16-21-30-26(28)24-19-17-18-23(22-24)25(27)29-20-15-6-4-2/h4,17-19,22H,2-3,5-16,20-21H2,1H3
- InChI Key
- VTYFWYAWCVFBID-UHFFFAOYSA-N
- Formula
- C26H40O4
- SMILES
-
C=CCCCOC(=O)c1cccc(C(=O)OCCCCC
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° | -109.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -719.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.05 | 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 | 938.64 | kPa | Joback Calculated Property |
| Inp | [3049.00; 3049.00] |
|
|
| Inp | 3049.00 | NIST | |
| Inp | 3049.00 | NIST | |
| Tboil | 975.20 | K | Joback Calculated Property |
| Tc | 1194.07 | K | Joback Calculated Property |
| Tfus | 564.28 | K | Joback Calculated Property |
| Vc | 1.413 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1213.85; 1295.89] | J/mol×K | [975.20; 1194.07] |
|
| Cp,gas | 1213.85 | J/mol×K | 975.20 | Joback Calculated Property |
| Cp,gas | 1230.98 | J/mol×K | 1011.68 | Joback Calculated Property |
| Cp,gas | 1246.65 | J/mol×K | 1048.16 | Joback Calculated Property |
| Cp,gas | 1260.92 | J/mol×K | 1084.64 | Joback Calculated Property |
| Cp,gas | 1273.85 | J/mol×K | 1121.12 | Joback Calculated Property |
| Cp,gas | 1285.48 | J/mol×K | 1157.59 | Joback Calculated Property |
| Cp,gas | 1295.89 | J/mol×K | 1194.07 | Joback Calculated Property |
| η | [0.0000246; 0.0003147] | Pa×s | [564.28; 975.20] |
|
| η | 0.0003147 | Pa×s | 564.28 | Joback Calculated Property |
| η | 0.0001635 | Pa×s | 632.77 | Joback Calculated Property |
| η | 0.0000966 | Pa×s | 701.25 | Joback Calculated Property |
| η | 0.0000626 | Pa×s | 769.74 | Joback Calculated Property |
| η | 0.0000436 | Pa×s | 838.23 | Joback Calculated Property |
| η | 0.0000321 | Pa×s | 906.71 | Joback Calculated Property |
| η | 0.0000246 | Pa×s | 975.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, pent-4-enyl tridecyl ester.
Sources
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