- InChI
- InChI=1S/C10H12ClNO2/c1-14-9-4-2-8(3-5-9)12-10(13)6-7-11/h2-5H,6-7H2,1H3,(H,12,13)
- InChI Key
- ZVNNQFDBJXKWOE-UHFFFAOYSA-N
- Formula
- C10H12ClNO2
- SMILES
- COc1ccc(NC(=O)CCCl)cc1
- Molecular Weight1
- 213.66
- 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 | 0.6579 | Relay (1.0) Calculated Property | |
| ΔfG° | -20.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -309.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.263 | Crippen Calculated Property | |
| McVol | 157.660 | ml/mol | McGowan Calculated Property |
| Pc | 2953.69 | kPa | Joback Calculated Property |
| Inp | 1915.00 | NIST | |
| Tboil | 597.51 | K | Relay (1.0) Calculated Property |
| Tc | 835.90 | K | Relay (1.0) Calculated Property |
| Tfus | 378.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.547 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [372.95; 436.11] | J/mol×K | [623.75; 841.19] | 
|
| Cp,gas | 372.95 | J/mol×K | 623.75 | Joback Calculated Property |
| Cp,gas | 385.36 | J/mol×K | 659.99 | Joback Calculated Property |
| Cp,gas | 397.00 | J/mol×K | 696.23 | Joback Calculated Property |
| Cp,gas | 407.87 | J/mol×K | 732.47 | Joback Calculated Property |
| Cp,gas | 418.00 | J/mol×K | 768.71 | Joback Calculated Property |
| Cp,gas | 427.41 | J/mol×K | 804.95 | Joback Calculated Property |
| Cp,gas | 436.11 | J/mol×K | 841.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-(4-methoxyphenyl)-3-chloro-.
Sources
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