- InChI
- InChI=1S/C26H36O4/c1-21(2)13-12-20-29-25(27)18-7-5-3-4-6-8-19-26(28)30-24-17-11-15-22-14-9-10-16-23(22)24/h9-11,14-17,21H,3-8,12-13,18-20H2,1-2H3
- InChI Key
- GJXTWWYNUAWEJQ-UHFFFAOYSA-N
- Formula
- C26H36O4
- SMILES
-
CC(C)CCCOC(=O)CCCCCCCCC(=O)Oc1
cccc2ccccc12 - Molecular Weight1
- 412.56
- 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° | -92.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -658.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.97 | kJ/mol | Joback Calculated Property |
| log10WS | -8.07 | Crippen Calculated Property | |
| logPoct/wat | 6.845 | Crippen Calculated Property | |
| McVol | 348.860 | ml/mol | McGowan Calculated Property |
| Pc | 1072.87 | kPa | Joback Calculated Property |
| Inp | [3330.00; 3330.00] |
|
|
| Inp | 3330.00 | NIST | |
| Inp | 3330.00 | NIST | |
| Tboil | 997.06 | K | Joback Calculated Property |
| Tc | 1221.29 | K | Joback Calculated Property |
| Tfus | 583.74 | K | Joback Calculated Property |
| Vc | 1.347 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1162.62; 1240.47] | J/mol×K | [997.06; 1221.29] |
|
| Cp,gas | 1162.62 | J/mol×K | 997.06 | Joback Calculated Property |
| Cp,gas | 1178.51 | J/mol×K | 1034.43 | Joback Calculated Property |
| Cp,gas | 1193.12 | J/mol×K | 1071.80 | Joback Calculated Property |
| Cp,gas | 1206.54 | J/mol×K | 1109.17 | Joback Calculated Property |
| Cp,gas | 1218.86 | J/mol×K | 1146.54 | Joback Calculated Property |
| Cp,gas | 1230.14 | J/mol×K | 1183.91 | Joback Calculated Property |
| Cp,gas | 1240.47 | J/mol×K | 1221.29 | Joback Calculated Property |
| η | [0.0000435; 0.0004275] | Pa×s | [583.74; 997.06] |
|
| η | 0.0004275 | Pa×s | 583.74 | Joback Calculated Property |
| η | 0.0002389 | Pa×s | 652.63 | Joback Calculated Property |
| η | 0.0001492 | Pa×s | 721.51 | Joback Calculated Property |
| η | 0.0001012 | Pa×s | 790.40 | Joback Calculated Property |
| η | 0.0000730 | Pa×s | 859.29 | Joback Calculated Property |
| η | 0.0000553 | Pa×s | 928.17 | Joback Calculated Property |
| η | 0.0000435 | Pa×s | 997.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isohexyl 1-naphthyl ester.
Sources
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