- InChI
- InChI=1S/C10H10ClNO3/c1-15-9(13)6-12-10(14)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3,(H,12,14)
- InChI Key
- NVWHFQJYAXGYIN-UHFFFAOYSA-N
- Formula
- C10H10ClNO3
- SMILES
- COC(=O)CNC(=O)c1ccccc1Cl
- Molecular Weight1
- 227.64
- 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 | 0.6063 | Relay (1.0) Calculated Property | |
| ΔfG° | -149.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -466.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.243 | Crippen Calculated Property | |
| McVol | 159.230 | ml/mol | McGowan Calculated Property |
| Pc | 3166.83 | kPa | Joback Calculated Property |
| Inp | [1782.00; 1782.00] |
|
|
| Inp | 1782.00 | NIST | |
| Inp | 1782.00 | NIST | |
| Tboil | 579.85 | K | Relay (1.0) Calculated Property |
| Tc | 818.19 | K | Relay (1.0) Calculated Property |
| Tfus | 357.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.565 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [385.28; 439.76] | J/mol×K | [677.62; 901.54] |
|
| Cp,gas | 385.28 | J/mol×K | 677.62 | Joback Calculated Property |
| Cp,gas | 396.30 | J/mol×K | 714.94 | Joback Calculated Property |
| Cp,gas | 406.52 | J/mol×K | 752.26 | Joback Calculated Property |
| Cp,gas | 415.96 | J/mol×K | 789.58 | Joback Calculated Property |
| Cp,gas | 424.64 | J/mol×K | 826.90 | Joback Calculated Property |
| Cp,gas | 432.57 | J/mol×K | 864.22 | Joback Calculated Property |
| Cp,gas | 439.76 | J/mol×K | 901.54 | Joback Calculated Property |
Similar Compounds
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Sources
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