- InChI
- InChI=1S/C22H23F5O2/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)29-22(28)16-17(23)19(25)21(27)20(26)18(16)24/h10-13H,2-9H2,1H3
- InChI Key
- JTXQZUCODJCZNY-UHFFFAOYSA-N
- Formula
- C22H23F5O2
- SMILES
-
CCCCCCCCCc1ccc(OC(=O)c2c(F)c(F
)c(F)c(F)c2F)cc1 - Molecular Weight1
- 414.41
- 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 | 1.0112 | Relay (1.0) Calculated Property | |
| ΔfG° | -906.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1114.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.894 | Crippen Calculated Property | |
| McVol | 289.610 | ml/mol | McGowan Calculated Property |
| Pc | 1159.29 | kPa | Joback Calculated Property |
| Inp | [2383.90; 2391.30] |
|
|
| Inp | 2383.90 | NIST | |
| Inp | 2387.10 | NIST | |
| Inp | 2391.30 | NIST | |
| Tboil | 647.69 | K | Relay (1.0) Calculated Property |
| Tc | 860.09 | K | Relay (1.0) Calculated Property |
| Tfus | 304.37 | K | Relay (1.0) Calculated Property |
| Vc | 1.083 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [886.92; 958.71] | J/mol×K | [858.64; 1055.82] |
|
| Cp,gas | 886.92 | J/mol×K | 858.64 | Joback Calculated Property |
| Cp,gas | 901.36 | J/mol×K | 891.50 | Joback Calculated Property |
| Cp,gas | 914.78 | J/mol×K | 924.37 | Joback Calculated Property |
| Cp,gas | 927.20 | J/mol×K | 957.23 | Joback Calculated Property |
| Cp,gas | 938.65 | J/mol×K | 990.10 | Joback Calculated Property |
| Cp,gas | 949.14 | J/mol×K | 1022.96 | Joback Calculated Property |
| Cp,gas | 958.71 | J/mol×K | 1055.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-n-Nonylphenol, pentafluorobenzoyl ester.
Sources
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