- InChI
- InChI=1S/C17H28F5NO3/c1-2-3-4-5-6-7-8-9-10-13-26-14(24)11-12-23-15(25)16(18,19)17(20,21)22/h2-13H2,1H3,(H,23,25)
- InChI Key
- ZSEBBVAQLWHJMQ-UHFFFAOYSA-N
- Formula
- C17H28F5NO3
- SMILES
-
CCCCCCCCCCCOC(=O)CCNC(=O)C(F)(
F)C(F)(F)F - Molecular Weight1
- 389.40
- 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.
- 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° | -1149.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1696.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.10 | kJ/mol | Joback Calculated Property |
| log10WS | -5.74 | Crippen Calculated Property | |
| logPoct/wat | 4.764 | Crippen Calculated Property | |
| McVol | 278.230 | ml/mol | McGowan Calculated Property |
| Pc | 1176.85 | kPa | Joback Calculated Property |
| Inp | 1952.00 | NIST | |
| Tboil | 758.58 | K | Joback Calculated Property |
| Tc | 931.61 | K | Joback Calculated Property |
| Tfus | 463.89 | K | Joback Calculated Property |
| Vc | 1.121 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [864.18; 943.61] | J/mol×K | [758.58; 931.61] | 
|
| Cp,gas | 864.18 | J/mol×K | 758.58 | Joback Calculated Property |
| Cp,gas | 879.42 | J/mol×K | 787.42 | Joback Calculated Property |
| Cp,gas | 893.81 | J/mol×K | 816.26 | Joback Calculated Property |
| Cp,gas | 907.37 | J/mol×K | 845.10 | Joback Calculated Property |
| Cp,gas | 920.17 | J/mol×K | 873.93 | Joback Calculated Property |
| Cp,gas | 932.23 | J/mol×K | 902.77 | Joback Calculated Property |
| Cp,gas | 943.61 | J/mol×K | 931.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, n-pentafluoropropionyl-, undecyl ester.
Sources
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