- InChI
- InChI=1S/C23H35FO4/c1-2-3-4-9-14-19-27-22(25)17-10-7-5-6-8-11-18-23(26)28-21-16-13-12-15-20(21)24/h12-13,15-16H,2-11,14,17-19H2,1H3
- InChI Key
- KBVSVKLLDMXAIA-UHFFFAOYSA-N
- Formula
- C23H35FO4
- SMILES
-
CCCCCCCOC(=O)CCCCCCCCC(=O)Oc1c
cccc1F - Molecular Weight1
- 394.52
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -417.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -978.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.22 | kJ/mol | Joback Calculated Property |
| log10WS | -7.26 | Crippen Calculated Property | |
| logPoct/wat | 6.365 | Crippen Calculated Property | |
| McVol | 327.820 | ml/mol | McGowan Calculated Property |
| Pc | 1065.87 | kPa | Joback Calculated Property |
| Inp | [2802.00; 2802.00] |
|
|
| Inp | 2802.00 | NIST | |
| Inp | 2802.00 | NIST | |
| Tboil | 909.15 | K | Joback Calculated Property |
| Tc | 1113.70 | K | Joback Calculated Property |
| Tfus | 532.82 | K | Joback Calculated Property |
| Vc | 1.282 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1065.16; 1146.01] | J/mol×K | [909.15; 1113.70] |
|
| Cp,gas | 1065.16 | J/mol×K | 909.15 | Joback Calculated Property |
| Cp,gas | 1081.71 | J/mol×K | 943.24 | Joback Calculated Property |
| Cp,gas | 1096.99 | J/mol×K | 977.33 | Joback Calculated Property |
| Cp,gas | 1111.03 | J/mol×K | 1011.42 | Joback Calculated Property |
| Cp,gas | 1123.86 | J/mol×K | 1045.51 | Joback Calculated Property |
| Cp,gas | 1135.51 | J/mol×K | 1079.61 | Joback Calculated Property |
| Cp,gas | 1146.01 | J/mol×K | 1113.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2-fluorophenyl heptyl ester.
Sources
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