- InChI
- InChI=1S/C13H19F7O2/c1-2-3-4-5-6-7-8-9-22-10(21)11(14,15)12(16,17)13(18,19)20/h2-9H2,1H3
- InChI Key
- KKMYDVWFFLRAAN-UHFFFAOYSA-N
- Formula
- C13H19F7O2
- SMILES
-
CCCCCCCCCOC(=O)C(F)(F)C(F)(F)C
(F)(F)F - Molecular Weight1
- 340.28
- CAS
- 959297-30-4
- Other Names
-
- Nonyl 2,2,3,3,4,4,4-heptafluorobutanoate
- 1-Nonanol, heptafluorobutyrate
- Nonyl perfluorobutyrate
- Nonyl heptafluorobutanoate
- 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° | -1530.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1955.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.08 | kJ/mol | Joback Calculated Property |
| log10WS | -5.42 | Crippen Calculated Property | |
| logPoct/wat | 5.113 | Crippen Calculated Property | |
| McVol | 213.860 | ml/mol | McGowan Calculated Property |
| Pc | 1394.37 | kPa | Joback Calculated Property |
| Inp | [1201.00; 1208.90] |
|
|
| Inp | 1201.00 | NIST | |
| Inp | 1204.00 | NIST | |
| Inp | 1208.90 | NIST | |
| Inp | 1201.00 | NIST | |
| Inp | 1204.00 | NIST | |
| Inp | 1208.90 | NIST | |
| I | [1215.00; 1215.00] |
|
|
| I | 1215.00 | NIST | |
| I | 1215.00 | NIST | |
| Tboil | 558.33 | K | Joback Calculated Property |
| Tc | 707.00 | K | Joback Calculated Property |
| Tfus | 319.82 | K | Joback Calculated Property |
| Vc | 0.880 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [579.90; 656.20] | J/mol×K | [558.33; 707.00] |
|
| Cp,gas | 579.90 | J/mol×K | 558.33 | Joback Calculated Property |
| Cp,gas | 594.35 | J/mol×K | 583.11 | Joback Calculated Property |
| Cp,gas | 608.07 | J/mol×K | 607.89 | Joback Calculated Property |
| Cp,gas | 621.08 | J/mol×K | 632.67 | Joback Calculated Property |
| Cp,gas | 633.42 | J/mol×K | 657.45 | Joback Calculated Property |
| Cp,gas | 645.12 | J/mol×K | 682.22 | Joback Calculated Property |
| Cp,gas | 656.20 | J/mol×K | 707.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nonyl heptafluorobutyrate.
Sources
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