- InChI
- InChI=1S/C8H14ClNO2/c1-6(9)8(11)10-5-7-3-2-4-12-7/h6-7H,2-5H2,1H3,(H,10,11)
- InChI Key
- CCYFCLVMSOMMEF-UHFFFAOYSA-N
- Formula
- C8H14ClNO2
- SMILES
- CC(Cl)C(=O)NCC1CCCO1
- Molecular Weight1
- 191.66
- 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 | 0.4874 | Relay (1.0) Calculated Property | |
| ΔfG° | -86.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -469.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.909 | Crippen Calculated Property | |
| McVol | 142.380 | ml/mol | McGowan Calculated Property |
| Pc | 3199.16 | kPa | Joback Calculated Property |
| Inp | 1396.00 | NIST | |
| Tboil | 532.47 | K | Relay (1.0) Calculated Property |
| Tc | 749.52 | K | Relay (1.0) Calculated Property |
| Tfus | 315.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.515 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [346.65; 420.88] | J/mol×K | [565.70; 780.34] | 
|
| Cp,gas | 346.65 | J/mol×K | 565.70 | Joback Calculated Property |
| Cp,gas | 361.17 | J/mol×K | 601.47 | Joback Calculated Property |
| Cp,gas | 374.78 | J/mol×K | 637.25 | Joback Calculated Property |
| Cp,gas | 387.53 | J/mol×K | 673.02 | Joback Calculated Property |
| Cp,gas | 399.43 | J/mol×K | 708.80 | Joback Calculated Property |
| Cp,gas | 410.54 | J/mol×K | 744.57 | Joback Calculated Property |
| Cp,gas | 420.88 | J/mol×K | 780.34 | Joback Calculated Property |
Similar Compounds
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Sources
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