- InChI
- InChI=1S/C27H44O5/c1-4-5-6-7-12-15-22-30-26(28)16-13-10-8-9-11-14-17-27(29)32-25-20-18-24(19-21-25)31-23(2)3/h18-21,23H,4-17,22H2,1-3H3
- InChI Key
- CLZGBVUUHDUPSZ-UHFFFAOYSA-N
- Formula
- C27H44O5
- SMILES
-
CCCCCCCCOC(=O)CCCCCCCCC(=O)Oc1
ccc(OC(C)C)cc1 - Molecular Weight1
- 448.64
- 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° | -296.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1002.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.97 | kJ/mol | Joback Calculated Property |
| log10WS | -8.41 | Crippen Calculated Property | |
| logPoct/wat | 7.404 | Crippen Calculated Property | |
| McVol | 388.280 | ml/mol | McGowan Calculated Property |
| Pc | 859.48 | kPa | Joback Calculated Property |
| Inp | 3223.00 | NIST | |
| Tboil | 1023.38 | K | Joback Calculated Property |
| Tc | 1256.37 | K | Joback Calculated Property |
| Tfus | 584.54 | K | Joback Calculated Property |
| Vc | 1.500 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1335.89; 1409.27] | J/mol×K | [1023.38; 1256.37] | 
|
| Cp,gas | 1335.89 | J/mol×K | 1023.38 | Joback Calculated Property |
| Cp,gas | 1352.76 | J/mol×K | 1062.21 | Joback Calculated Property |
| Cp,gas | 1367.71 | J/mol×K | 1101.04 | Joback Calculated Property |
| Cp,gas | 1380.79 | J/mol×K | 1139.88 | Joback Calculated Property |
| Cp,gas | 1392.05 | J/mol×K | 1178.71 | Joback Calculated Property |
| Cp,gas | 1401.53 | J/mol×K | 1217.54 | Joback Calculated Property |
| Cp,gas | 1409.27 | J/mol×K | 1256.37 | Joback Calculated Property |
| η | [0.0000131; 0.0002016] | Pa×s | [584.54; 1023.38] |
|
| η | 0.0002016 | Pa×s | 584.54 | Joback Calculated Property |
| η | 0.0000991 | Pa×s | 657.68 | Joback Calculated Property |
| η | 0.0000562 | Pa×s | 730.82 | Joback Calculated Property |
| η | 0.0000353 | Pa×s | 803.96 | Joback Calculated Property |
| η | 0.0000240 | Pa×s | 877.10 | Joback Calculated Property |
| η | 0.0000173 | Pa×s | 950.24 | Joback Calculated Property |
| η | 0.0000131 | Pa×s | 1023.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 4-isopropoxyphenyl octyl ester.
Sources
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