- InChI
- InChI=1S/C22H33FO4/c1-2-3-4-13-18-26-21(24)16-9-7-5-6-8-10-17-22(25)27-20-15-12-11-14-19(20)23/h11-12,14-15H,2-10,13,16-18H2,1H3
- InChI Key
- BLOWDNJYALMURQ-UHFFFAOYSA-N
- Formula
- C22H33FO4
- SMILES
-
CCCCCCOC(=O)CCCCCCCCC(=O)Oc1cc
ccc1F - Molecular Weight1
- 380.49
- 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° | -425.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -958.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.00 | kJ/mol | Joback Calculated Property |
| log10WS | -6.84 | Crippen Calculated Property | |
| logPoct/wat | 5.975 | Crippen Calculated Property | |
| McVol | 313.730 | ml/mol | McGowan Calculated Property |
| Pc | 1135.96 | kPa | Joback Calculated Property |
| Inp | [2698.00; 2698.00] |
|
|
| Inp | 2698.00 | NIST | |
| Inp | 2698.00 | NIST | |
| Tboil | 886.27 | K | Joback Calculated Property |
| Tc | 1087.24 | K | Joback Calculated Property |
| Tfus | 521.55 | K | Joback Calculated Property |
| Vc | 1.226 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1004.47; 1084.59] | J/mol×K | [886.27; 1087.24] |
|
| Cp,gas | 1004.47 | J/mol×K | 886.27 | Joback Calculated Property |
| Cp,gas | 1020.74 | J/mol×K | 919.76 | Joback Calculated Property |
| Cp,gas | 1035.81 | J/mol×K | 953.26 | Joback Calculated Property |
| Cp,gas | 1049.70 | J/mol×K | 986.75 | Joback Calculated Property |
| Cp,gas | 1062.44 | J/mol×K | 1020.25 | Joback Calculated Property |
| Cp,gas | 1074.06 | J/mol×K | 1053.74 | Joback Calculated Property |
| Cp,gas | 1084.59 | J/mol×K | 1087.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2-fluorophenyl hexyl ester.
Sources
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