- InChI
- InChI=1S/C11H10ClNO2/c1-3-8(2)15-11(14)13-10-6-4-5-9(12)7-10/h1,4-8H,2H3,(H,13,14)
- InChI Key
- ULBXWWGWDPVHAO-UHFFFAOYSA-N
- Formula
- C11H10ClNO2
- SMILES
- C#CC(C)OC(=O)Nc1cccc(Cl)c1
- Molecular Weight1
- 223.66
- 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).
- 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 | 0.5357 | Relay (1.0) Calculated Property | |
| ΔfG° | 208.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -146.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.62 | Aq. Solubility Prediction | |
| logPoct/wat | 2.910 | Crippen Calculated Property | |
| McVol | 163.150 | ml/mol | McGowan Calculated Property |
| Pc | 3156.17 | kPa | Joback Calculated Property |
| Tboil | 555.13 | K | Relay (1.0) Calculated Property |
| Tc | 811.96 | K | Relay (1.0) Calculated Property |
| Tfus | 318.65 | K | Aq. Solubility Prediction |
| Vc | 0.556 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [378.99; 438.75] | J/mol×K | [636.31; 869.20] | 
|
| Cp,gas | 378.99 | J/mol×K | 636.31 | Joback Calculated Property |
| Cp,gas | 391.00 | J/mol×K | 675.12 | Joback Calculated Property |
| Cp,gas | 402.15 | J/mol×K | 713.94 | Joback Calculated Property |
| Cp,gas | 412.46 | J/mol×K | 752.75 | Joback Calculated Property |
| Cp,gas | 421.98 | J/mol×K | 791.57 | Joback Calculated Property |
| Cp,gas | 430.73 | J/mol×K | 830.38 | Joback Calculated Property |
| Cp,gas | 438.75 | J/mol×K | 869.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to but-3-yn-2-yl N-(3-chlorophenyl)carbamate.
Sources
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