- InChI
- InChI=1S/C19H28ClNO3/c1-2-3-4-5-6-7-10-15-24-18(22)13-14-21-19(23)16-11-8-9-12-17(16)20/h8-9,11-12H,2-7,10,13-15H2,1H3,(H,21,23)
- InChI Key
- YFRBSXGZLPUOQN-UHFFFAOYSA-N
- Formula
- C19H28ClNO3
- SMILES
-
CCCCCCCCCOC(=O)CCNC(=O)c1ccccc
1Cl - Molecular Weight1
- 353.88
- 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 | 0.9745 | Relay (1.0) Calculated Property | |
| ΔfG° | -73.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -683.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.754 | Crippen Calculated Property | |
| McVol | 286.040 | ml/mol | McGowan Calculated Property |
| Pc | 1433.72 | kPa | Joback Calculated Property |
| Inp | 2769.00 | NIST | |
| Tboil | 649.95 | K | Relay (1.0) Calculated Property |
| Tc | 891.02 | K | Relay (1.0) Calculated Property |
| Tfus | 329.27 | K | Relay (1.0) Calculated Property |
| Vc | 1.048 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [875.30; 946.70] | J/mol×K | [883.54; 1091.40] | 
|
| Cp,gas | 875.30 | J/mol×K | 883.54 | Joback Calculated Property |
| Cp,gas | 889.75 | J/mol×K | 918.18 | Joback Calculated Property |
| Cp,gas | 903.13 | J/mol×K | 952.83 | Joback Calculated Property |
| Cp,gas | 915.47 | J/mol×K | 987.47 | Joback Calculated Property |
| Cp,gas | 926.82 | J/mol×K | 1022.11 | Joback Calculated Property |
| Cp,gas | 937.22 | J/mol×K | 1056.76 | Joback Calculated Property |
| Cp,gas | 946.70 | J/mol×K | 1091.40 | Joback Calculated Property |
Similar Compounds
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Sources
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