- InChI
- InChI=1S/C15H20ClNO3/c1-3-4-7-10-20-15(19)11(2)17-14(18)12-8-5-6-9-13(12)16/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,17,18)
- InChI Key
- FYPGMHRRIZGXLQ-UHFFFAOYSA-N
- Formula
- C15H20ClNO3
- SMILES
-
CCCCCOC(=O)C(C)NC(=O)c1ccccc1C
l - Molecular Weight1
- 297.78
- 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° | -109.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -452.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.26 | kJ/mol | Joback Calculated Property |
| log10WS | -4.41 | Crippen Calculated Property | |
| logPoct/wat | 3.192 | Crippen Calculated Property | |
| McVol | 229.680 | ml/mol | McGowan Calculated Property |
| Pc | 1977.07 | kPa | Joback Calculated Property |
| Inp | 2225.00 | NIST | |
| Tboil | 791.58 | K | Joback Calculated Property |
| Tc | 1003.84 | K | Joback Calculated Property |
| Tfus | 487.42 | K | Joback Calculated Property |
| Vc | 0.875 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [647.73; 714.79] | J/mol×K | [791.58; 1003.84] | 
|
| Cp,gas | 647.73 | J/mol×K | 791.58 | Joback Calculated Property |
| Cp,gas | 661.29 | J/mol×K | 826.96 | Joback Calculated Property |
| Cp,gas | 673.86 | J/mol×K | 862.33 | Joback Calculated Property |
| Cp,gas | 685.46 | J/mol×K | 897.71 | Joback Calculated Property |
| Cp,gas | 696.13 | J/mol×K | 933.09 | Joback Calculated Property |
| Cp,gas | 705.90 | J/mol×K | 968.47 | Joback Calculated Property |
| Cp,gas | 714.79 | J/mol×K | 1003.84 | Joback Calculated Property |
Similar Compounds
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Sources
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