- InChI
- InChI=1S/C11H14F7NO3/c1-6(2)5-22-7(20)4-19(3)8(21)9(12,13)10(14,15)11(16,17)18/h6H,4-5H2,1-3H3
- InChI Key
- WZIYWGOTWAWROP-UHFFFAOYSA-N
- Formula
- C11H14F7NO3
- SMILES
-
CC(C)COC(=O)CN(C)C(=O)C(F)(F)C
(F)(F)C(F)(F)F - Molecular Weight1
- 341.22
- 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 | 0.6435 | Relay (1.0) Calculated Property | |
| ΔfG° | -1567.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2109.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.477 | Crippen Calculated Property | |
| McVol | 197.230 | ml/mol | McGowan Calculated Property |
| Pc | 1711.78 | kPa | Joback Calculated Property |
| Inp | 1286.00 | NIST | |
| Tboil | 479.64 | K | Relay (1.0) Calculated Property |
| Tc | 608.48 | K | Relay (1.0) Calculated Property |
| Tfus | 243.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.741 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [542.20; 608.62] | J/mol×K | [578.44; 736.92] | 
|
| Cp,gas | 542.20 | J/mol×K | 578.44 | Joback Calculated Property |
| Cp,gas | 555.09 | J/mol×K | 604.85 | Joback Calculated Property |
| Cp,gas | 567.20 | J/mol×K | 631.27 | Joback Calculated Property |
| Cp,gas | 578.57 | J/mol×K | 657.68 | Joback Calculated Property |
| Cp,gas | 589.24 | J/mol×K | 684.09 | Joback Calculated Property |
| Cp,gas | 599.24 | J/mol×K | 710.51 | Joback Calculated Property |
| Cp,gas | 608.62 | J/mol×K | 736.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, n-heptafluorobutyryl-, isobutyl ester.
Sources
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