- InChI
- InChI=1S/C25H40O4/c1-4-23(22-16-10-9-11-17-22)29-25(27)19-13-8-6-5-7-12-18-24(26)28-20-14-15-21(2)3/h9-11,16-17,21,23H,4-8,12-15,18-20H2,1-3H3
- InChI Key
- XOMCIYBTFOESMS-UHFFFAOYSA-N
- Formula
- C25H40O4
- SMILES
-
CCC(OC(=O)CCCCCCCCC(=O)OCCCC(C
)C)c1ccccc1 - Molecular Weight1
- 404.58
- 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° | -200.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -822.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.06 | kJ/mol | Joback Calculated Property |
| log10WS | -7.33 | Crippen Calculated Property | |
| logPoct/wat | 6.781 | Crippen Calculated Property | |
| McVol | 354.230 | ml/mol | McGowan Calculated Property |
| Pc | 989.51 | kPa | Joback Calculated Property |
| Inp | 2827.00 | NIST | |
| Tboil | 949.78 | K | Joback Calculated Property |
| Tc | 1163.15 | K | Joback Calculated Property |
| Tfus | 512.25 | K | Joback Calculated Property |
| Vc | 1.363 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1182.65; 1265.85] | J/mol×K | [949.78; 1163.15] | 
|
| Cp,gas | 1182.65 | J/mol×K | 949.78 | Joback Calculated Property |
| Cp,gas | 1199.97 | J/mol×K | 985.34 | Joback Calculated Property |
| Cp,gas | 1215.85 | J/mol×K | 1020.90 | Joback Calculated Property |
| Cp,gas | 1230.33 | J/mol×K | 1056.46 | Joback Calculated Property |
| Cp,gas | 1243.45 | J/mol×K | 1092.03 | Joback Calculated Property |
| Cp,gas | 1255.28 | J/mol×K | 1127.59 | Joback Calculated Property |
| Cp,gas | 1265.85 | J/mol×K | 1163.15 | Joback Calculated Property |
| η | [0.0000216; 0.0005066] | Pa×s | [512.25; 949.78] |
|
| η | 0.0005066 | Pa×s | 512.25 | Joback Calculated Property |
| η | 0.0002157 | Pa×s | 585.17 | Joback Calculated Property |
| η | 0.0001109 | Pa×s | 658.09 | Joback Calculated Property |
| η | 0.0000652 | Pa×s | 731.01 | Joback Calculated Property |
| η | 0.0000422 | Pa×s | 803.94 | Joback Calculated Property |
| η | 0.0000293 | Pa×s | 876.86 | Joback Calculated Property |
| η | 0.0000216 | Pa×s | 949.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isohexyl 1-phenylpropyl ester.
Sources
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