- InChI
- InChI=1S/C30H45F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-38-23(36)19-18-20-24(37)39-22(2)25-26(31)28(33)30(35)29(34)27(25)32/h22H,3-21H2,1-2H3
- InChI Key
- KSYZFNSAAONKLB-UHFFFAOYSA-N
- Formula
- C30H45F5O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)CCCC(=O
)OC(C)c1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 564.67
- 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 | 1.3554 | Relay (1.0) Calculated Property | |
| ΔfG° | -1178.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1848.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 83.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.571 | Crippen Calculated Property | |
| McVol | 433.530 | ml/mol | McGowan Calculated Property |
| Pc | 635.44 | kPa | Joback Calculated Property |
| Inp | 3212.00 | NIST | |
| Tboil | 688.68 | K | Relay (1.0) Calculated Property |
| Tc | 859.39 | K | Relay (1.0) Calculated Property |
| Tfus | 336.90 | K | Relay (1.0) Calculated Property |
| Vc | 1.637 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1525.62; 1597.73] | J/mol×K | [1085.87; 1379.43] | 
|
| Cp,gas | 1525.62 | J/mol×K | 1085.87 | Joback Calculated Property |
| Cp,gas | 1544.84 | J/mol×K | 1134.80 | Joback Calculated Property |
| Cp,gas | 1561.05 | J/mol×K | 1183.72 | Joback Calculated Property |
| Cp,gas | 1574.34 | J/mol×K | 1232.65 | Joback Calculated Property |
| Cp,gas | 1584.81 | J/mol×K | 1281.58 | Joback Calculated Property |
| Cp,gas | 1592.57 | J/mol×K | 1330.50 | Joback Calculated Property |
| Cp,gas | 1597.73 | J/mol×K | 1379.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, heptadecyl 1-(pentafluorophenyl)ethyl ester.
Sources
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