- InChI
- InChI=1S/C29H43F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-37-23(35)18-15-14-16-19-24(36)38-21-22-25(30)27(32)29(34)28(33)26(22)31/h2-21H2,1H3
- InChI Key
- ROWXENHIJRBRFA-UHFFFAOYSA-N
- Formula
- C29H43F5O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCCCCC(=O
)OCc1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 550.64
- 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° | -1184.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1932.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 83.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.96 | kJ/mol | Joback Calculated Property |
| log10WS | -10.94 | Crippen Calculated Property | |
| logPoct/wat | 9.010 | Crippen Calculated Property | |
| McVol | 419.440 | ml/mol | McGowan Calculated Property |
| Pc | 664.60 | kPa | Joback Calculated Property |
| Inp | [3294.00; 3294.00] |
|
|
| Inp | 3294.00 | NIST | |
| Inp | 3294.00 | NIST | |
| Tboil | 1063.43 | K | Joback Calculated Property |
| Tc | 1344.33 | K | Joback Calculated Property |
| Tfus | 652.88 | K | Joback Calculated Property |
| Vc | 1.690 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1462.46; 1537.61] | J/mol×K | [1063.43; 1344.33] |
|
| Cp,gas | 1462.46 | J/mol×K | 1063.43 | Joback Calculated Property |
| Cp,gas | 1481.52 | J/mol×K | 1110.25 | Joback Calculated Property |
| Cp,gas | 1497.86 | J/mol×K | 1157.06 | Joback Calculated Property |
| Cp,gas | 1511.56 | J/mol×K | 1203.88 | Joback Calculated Property |
| Cp,gas | 1522.69 | J/mol×K | 1250.70 | Joback Calculated Property |
| Cp,gas | 1531.35 | J/mol×K | 1297.52 | Joback Calculated Property |
| Cp,gas | 1537.61 | J/mol×K | 1344.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, pentadecyl pentafluorobenzyl ester.
Sources
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