- InChI
- InChI=1S/C12H9F5O2/c1-3-4-5(2)19-12(18)6-7(13)9(15)11(17)10(16)8(6)14/h3,5H,1,4H2,2H3
- InChI Key
- WPDVFLKYMQQYGM-UHFFFAOYSA-N
- Formula
- C12H9F5O2
- SMILES
-
C=CCC(C)OC(=O)c1c(F)c(F)c(F)c(
F)c1F - Molecular Weight1
- 280.19
- 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.
- I : 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° | -1008.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1217.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.91 | kJ/mol | Joback Calculated Property |
| log10WS | -5.01 | Crippen Calculated Property | |
| logPoct/wat | 3.503 | Crippen Calculated Property | |
| McVol | 168.170 | ml/mol | McGowan Calculated Property |
| Pc | 1987.66 | kPa | Joback Calculated Property |
| Inp | [1233.00; 1246.00] |
|
|
| Inp | 1242.00 | NIST | |
| Inp | 1246.00 | NIST | |
| Inp | Outlier 1233.00 | NIST | |
| Inp | 1241.00 | NIST | |
| Inp | 1242.00 | NIST | |
| Inp | 1241.00 | NIST | |
| I | [1536.00; 1561.00] |
|
|
| I | 1540.00 | NIST | |
| I | 1541.00 | NIST | |
| I | 1536.00 | NIST | |
| I | 1561.00 | NIST | |
| I | 1540.00 | NIST | |
| I | 1561.00 | NIST | |
| Tboil | 594.42 | K | Joback Calculated Property |
| Tc | 770.45 | K | Joback Calculated Property |
| Tfus | 372.37 | K | Joback Calculated Property |
| Vc | 0.689 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [412.53; 469.95] | J/mol×K | [594.42; 770.45] |
|
| Cp,gas | 412.53 | J/mol×K | 594.42 | Joback Calculated Property |
| Cp,gas | 423.29 | J/mol×K | 623.76 | Joback Calculated Property |
| Cp,gas | 433.57 | J/mol×K | 653.10 | Joback Calculated Property |
| Cp,gas | 443.37 | J/mol×K | 682.44 | Joback Calculated Property |
| Cp,gas | 452.70 | J/mol×K | 711.77 | Joback Calculated Property |
| Cp,gas | 461.56 | J/mol×K | 741.11 | Joback Calculated Property |
| Cp,gas | 469.95 | J/mol×K | 770.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-methyl-3-butenyl pentaflurobenzoate.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.