- InChI
- InChI=1S/C10H8ClNO3/c11-5-6-14-10(13)15-9-3-1-8(7-12)2-4-9/h1-4H,5-6H2
- InChI Key
- YWQMXAKUZKIOQC-UHFFFAOYSA-N
- Formula
- C10H8ClNO3
- SMILES
- N#Cc1ccc(OC(=O)OCCCl)cc1
- Molecular Weight1
- 225.63
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -81.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -252.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.22 | kJ/mol | Joback Calculated Property |
| log10WS | -2.77 | Crippen Calculated Property | |
| logPoct/wat | 2.312 | Crippen Calculated Property | |
| McVol | 154.930 | ml/mol | McGowan Calculated Property |
| Pc | 2784.72 | kPa | Joback Calculated Property |
| Inp | 1818.00 | NIST | |
| Tboil | 698.08 | K | Joback Calculated Property |
| Tc | 926.45 | K | Joback Calculated Property |
| Tfus | 430.70 | K | Joback Calculated Property |
| Vc | 0.605 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [366.97; 414.69] | J/mol×K | [698.08; 926.45] | 
|
| Cp,gas | 366.97 | J/mol×K | 698.08 | Joback Calculated Property |
| Cp,gas | 376.74 | J/mol×K | 736.14 | Joback Calculated Property |
| Cp,gas | 385.78 | J/mol×K | 774.20 | Joback Calculated Property |
| Cp,gas | 394.10 | J/mol×K | 812.26 | Joback Calculated Property |
| Cp,gas | 401.70 | J/mol×K | 850.32 | Joback Calculated Property |
| Cp,gas | 408.56 | J/mol×K | 888.38 | Joback Calculated Property |
| Cp,gas | 414.69 | J/mol×K | 926.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, 2-chloroethyl 4-cyanophenyl ester.
Sources
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