- InChI
- InChI=1S/C25H38BrFO4/c1-2-3-4-5-8-11-14-19-30-24(28)15-12-9-6-7-10-13-16-25(29)31-23-18-17-21(27)20-22(23)26/h17-18,20H,2-16,19H2,1H3
- InChI Key
- XPJIKTVXPALJIV-UHFFFAOYSA-N
- Formula
- C25H38BrFO4
- SMILES
-
CCCCCCCCCOC(=O)CCCCCCCCC(=O)Oc
1ccc(F)cc1Br - Molecular Weight1
- 501.47
- 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° | -395.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1005.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.77 | kJ/mol | Joback Calculated Property |
| log10WS | -9.26 | Crippen Calculated Property | |
| logPoct/wat | 7.908 | Crippen Calculated Property | |
| McVol | 373.500 | ml/mol | McGowan Calculated Property |
| Pc | 975.95 | kPa | Joback Calculated Property |
| Inp | [3281.00; 3281.00] |
|
|
| Inp | 3281.00 | NIST | |
| Inp | 3281.00 | NIST | |
| Tboil | 1026.05 | K | Joback Calculated Property |
| Tc | 1258.11 | K | Joback Calculated Property |
| Tfus | 627.68 | K | Joback Calculated Property |
| Vc | 1.456 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1226.96; 1298.13] | J/mol×K | [1026.05; 1258.11] |
|
| Cp,gas | 1226.96 | J/mol×K | 1026.05 | Joback Calculated Property |
| Cp,gas | 1242.40 | J/mol×K | 1064.73 | Joback Calculated Property |
| Cp,gas | 1256.33 | J/mol×K | 1103.40 | Joback Calculated Property |
| Cp,gas | 1268.81 | J/mol×K | 1142.08 | Joback Calculated Property |
| Cp,gas | 1279.90 | J/mol×K | 1180.76 | Joback Calculated Property |
| Cp,gas | 1289.65 | J/mol×K | 1219.44 | Joback Calculated Property |
| Cp,gas | 1298.13 | J/mol×K | 1258.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2-bromo-4-fluorophenyl nonyl ester.
Sources
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