- InChI
- InChI=1S/C30H49FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-34-29(32)22-19-23-30(33)35-26-27-20-18-21-28(31)25-27/h18,20-21,25H,2-17,19,22-24,26H2,1H3
- InChI Key
- FCGSRVOKHLMVKA-UHFFFAOYSA-N
- Formula
- C30H49FO4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)CCCC(=
O)OCc1cccc(F)c1 - Molecular Weight1
- 492.71
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.3320 | Relay (1.0) Calculated Property | |
| ΔfG° | -358.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1226.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 75.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 140.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.844 | Crippen Calculated Property | |
| McVol | 426.450 | ml/mol | McGowan Calculated Property |
| Pc | 716.83 | kPa | Joback Calculated Property |
| Inp | [3523.00; 3523.00] |
|
|
| Inp | 3523.00 | NIST | |
| Inp | 3523.00 | NIST | |
| Tboil | 706.12 | K | Relay (1.0) Calculated Property |
| Tc | 893.64 | K | Relay (1.0) Calculated Property |
| Tfus | 307.88 | K | Relay (1.0) Calculated Property |
| Vc | 1.618 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1503.27; 1588.48] | J/mol×K | [1069.31; 1329.04] |
|
| Cp,gas | 1503.27 | J/mol×K | 1069.31 | Joback Calculated Property |
| Cp,gas | 1522.55 | J/mol×K | 1112.60 | Joback Calculated Property |
| Cp,gas | 1539.65 | J/mol×K | 1155.89 | Joback Calculated Property |
| Cp,gas | 1554.68 | J/mol×K | 1199.17 | Joback Calculated Property |
| Cp,gas | 1567.76 | J/mol×K | 1242.46 | Joback Calculated Property |
| Cp,gas | 1578.99 | J/mol×K | 1285.75 | Joback Calculated Property |
| Cp,gas | 1588.48 | J/mol×K | 1329.04 | Joback Calculated Property |
Similar Compounds
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Sources
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