- InChI
- InChI=1S/C10H11ClINO/c1-7-2-3-9(8(12)6-7)13-10(14)4-5-11/h2-3,6H,4-5H2,1H3,(H,13,14)
- InChI Key
- CRLIKQMWVMLNQX-UHFFFAOYSA-N
- Formula
- C10H11ClINO
- SMILES
- Cc1ccc(NC(=O)CCCl)c(I)c1
- Molecular Weight1
- 323.56
- 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 | 0.6031 | Relay (1.0) Calculated Property | |
| ΔfG° | 133.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -112.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.167 | Crippen Calculated Property | |
| McVol | 177.610 | ml/mol | McGowan Calculated Property |
| Pc | 2890.51 | kPa | Joback Calculated Property |
| Inp | [2137.00; 2137.00] |
|
|
| Inp | 2137.00 | NIST | |
| Inp | 2137.00 | NIST | |
| Tboil | 608.94 | K | Relay (1.0) Calculated Property |
| Tc | 888.14 | K | Relay (1.0) Calculated Property |
| Tfus | 382.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.586 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [390.91; 445.25] | J/mol×K | [699.45; 946.03] |
|
| Cp,gas | 390.91 | J/mol×K | 699.45 | Joback Calculated Property |
| Cp,gas | 401.90 | J/mol×K | 740.55 | Joback Calculated Property |
| Cp,gas | 412.05 | J/mol×K | 781.64 | Joback Calculated Property |
| Cp,gas | 421.40 | J/mol×K | 822.74 | Joback Calculated Property |
| Cp,gas | 430.01 | J/mol×K | 863.83 | Joback Calculated Property |
| Cp,gas | 437.95 | J/mol×K | 904.93 | Joback Calculated Property |
| Cp,gas | 445.25 | J/mol×K | 946.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N-(2-iodo-4-methylphenyl)-3-chloro-.
Sources
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