- InChI
- InChI=1S/C13H18ClNO3/c1-17-10-6-7-12(18-2)11(9-10)15-13(16)5-3-4-8-14/h6-7,9H,3-5,8H2,1-2H3,(H,15,16)
- InChI Key
- RUIMICHAILIILK-UHFFFAOYSA-N
- Formula
- C13H18ClNO3
- SMILES
- COc1ccc(OC)c(NC(=O)CCCCCl)c1
- Molecular Weight1
- 271.74
- 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° | -109.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -437.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.52 | kJ/mol | Joback Calculated Property |
| log10WS | -3.32 | Crippen Calculated Property | |
| logPoct/wat | 3.051 | Crippen Calculated Property | |
| McVol | 205.800 | ml/mol | McGowan Calculated Property |
| Pc | 2143.35 | kPa | Joback Calculated Property |
| Inp | 2228.00 | NIST | |
| Tboil | 719.79 | K | Joback Calculated Property |
| Tc | 926.41 | K | Joback Calculated Property |
| Tfus | 464.70 | K | Joback Calculated Property |
| Vc | 0.781 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [549.34; 619.08] | J/mol×K | [719.79; 926.41] | 
|
| Cp,gas | 549.34 | J/mol×K | 719.79 | Joback Calculated Property |
| Cp,gas | 563.10 | J/mol×K | 754.23 | Joback Calculated Property |
| Cp,gas | 576.00 | J/mol×K | 788.66 | Joback Calculated Property |
| Cp,gas | 588.05 | J/mol×K | 823.10 | Joback Calculated Property |
| Cp,gas | 599.24 | J/mol×K | 857.54 | Joback Calculated Property |
| Cp,gas | 609.58 | J/mol×K | 891.97 | Joback Calculated Property |
| Cp,gas | 619.08 | J/mol×K | 926.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanamide, N-(2,5-dimethoxyphenyl)-5-chloro-.
Sources
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