- InChI
- InChI=1S/C25H38O5/c1-3-4-5-10-15-20-29-24(27)18-11-8-6-7-9-12-19-25(28)30-23-17-14-13-16-22(23)21(2)26/h13-14,16-17H,3-12,15,18-20H2,1-2H3
- InChI Key
- XETZEZZSBBIDSC-UHFFFAOYSA-N
- Formula
- C25H38O5
- SMILES
-
CCCCCCCOC(=O)CCCCCCCCC(=O)Oc1c
cccc1C(C)=O - Molecular Weight1
- 418.57
- 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° | -334.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -936.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.24 | kJ/mol | Joback Calculated Property |
| log10WS | -7.59 | Crippen Calculated Property | |
| logPoct/wat | 6.429 | Crippen Calculated Property | |
| McVol | 355.800 | ml/mol | McGowan Calculated Property |
| Pc | 1009.73 | kPa | Joback Calculated Property |
| Inp | 3130.00 | NIST | |
| Tboil | 1009.51 | K | Joback Calculated Property |
| Tc | 1236.49 | K | Joback Calculated Property |
| Tfus | 604.70 | K | Joback Calculated Property |
| Vc | 1.381 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1195.69; 1264.73] | J/mol×K | [1009.51; 1236.49] | 
|
| Cp,gas | 1195.69 | J/mol×K | 1009.51 | Joback Calculated Property |
| Cp,gas | 1210.97 | J/mol×K | 1047.34 | Joback Calculated Property |
| Cp,gas | 1224.68 | J/mol×K | 1085.17 | Joback Calculated Property |
| Cp,gas | 1236.86 | J/mol×K | 1123.00 | Joback Calculated Property |
| Cp,gas | 1247.56 | J/mol×K | 1160.83 | Joback Calculated Property |
| Cp,gas | 1256.84 | J/mol×K | 1198.66 | Joback Calculated Property |
| Cp,gas | 1264.73 | J/mol×K | 1236.49 | Joback Calculated Property |
| η | [0.0000249; 0.0002765] | Pa×s | [604.70; 1009.51] |
|
| η | 0.0002765 | Pa×s | 604.70 | Joback Calculated Property |
| η | 0.0001514 | Pa×s | 672.17 | Joback Calculated Property |
| η | 0.0000925 | Pa×s | 739.64 | Joback Calculated Property |
| η | 0.0000614 | Pa×s | 807.11 | Joback Calculated Property |
| η | 0.0000434 | Pa×s | 874.57 | Joback Calculated Property |
| η | 0.0000322 | Pa×s | 942.04 | Joback Calculated Property |
| η | 0.0000249 | Pa×s | 1009.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2-acetylphenyl heptyl ester.
Sources
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