- InChI
- InChI=1S/C9H14F3NO4/c1-2-3-4-17-7(15)6(5-14)13-8(16)9(10,11)12/h6,14H,2-5H2,1H3,(H,13,16)
- InChI Key
- YRBVCQWRGDWXAR-UHFFFAOYSA-N
- Formula
- C9H14F3NO4
- SMILES
- CCCCOC(=O)C(CO)NC(=O)C(F)(F)F
- Molecular Weight1
- 257.21
- CAS
- 23403-43-2
- Other Names
-
- Ser TFA Bu
- 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 | 0.7752 | Relay (1.0) Calculated Property | |
| ΔfG° | -969.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1449.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.369 | Crippen Calculated Property | |
| McVol | 167.840 | ml/mol | McGowan Calculated Property |
| Pc | 2561.10 | kPa | Joback Calculated Property |
| Inp | 1257.00 | NIST | |
| Tboil | 519.56 | K | Relay (1.0) Calculated Property |
| Tc | 682.49 | K | Relay (1.0) Calculated Property |
| Tfus | 317.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.600 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [474.14; 526.13] | J/mol×K | [671.97; 842.91] | 
|
| Cp,gas | 474.14 | J/mol×K | 671.97 | Joback Calculated Property |
| Cp,gas | 484.14 | J/mol×K | 700.46 | Joback Calculated Property |
| Cp,gas | 493.58 | J/mol×K | 728.95 | Joback Calculated Property |
| Cp,gas | 502.48 | J/mol×K | 757.44 | Joback Calculated Property |
| Cp,gas | 510.86 | J/mol×K | 785.93 | Joback Calculated Property |
| Cp,gas | 518.74 | J/mol×K | 814.42 | Joback Calculated Property |
| Cp,gas | 526.13 | J/mol×K | 842.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ser, butyl ester, TFA.
Sources
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