- InChI
- InChI=1S/C12H15ClFNO/c1-2-3-4-8-15-12(16)9-6-5-7-10(13)11(9)14/h5-7H,2-4,8H2,1H3,(H,15,16)
- InChI Key
- LFMPIITXVHOGLI-UHFFFAOYSA-N
- Formula
- C12H15ClFNO
- SMILES
- CCCCCNC(=O)c1cccc(Cl)c1F
- Molecular Weight1
- 243.71
- 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 | 0.6577 | Relay (1.0) Calculated Property | |
| ΔfG° | -102.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -401.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.399 | Crippen Calculated Property | |
| McVol | 181.740 | ml/mol | McGowan Calculated Property |
| Pc | 2322.54 | kPa | Joback Calculated Property |
| Inp | [1906.00; 1906.00] |
|
|
| Inp | 1906.00 | NIST | |
| Inp | 1906.00 | NIST | |
| Tboil | 575.65 | K | Relay (1.0) Calculated Property |
| Tc | 805.23 | K | Relay (1.0) Calculated Property |
| Tfus | 319.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.653 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [454.02; 521.65] | J/mol×K | [651.34; 855.88] |
|
| Cp,gas | 454.02 | J/mol×K | 651.34 | Joback Calculated Property |
| Cp,gas | 467.16 | J/mol×K | 685.43 | Joback Calculated Property |
| Cp,gas | 479.52 | J/mol×K | 719.52 | Joback Calculated Property |
| Cp,gas | 491.12 | J/mol×K | 753.61 | Joback Calculated Property |
| Cp,gas | 501.99 | J/mol×K | 787.70 | Joback Calculated Property |
| Cp,gas | 512.16 | J/mol×K | 821.79 | Joback Calculated Property |
| Cp,gas | 521.65 | J/mol×K | 855.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2-fluorobenzamide, N-pentyl-.
Sources
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