- InChI
- InChI=1S/C16H22ClNO3/c1-3-4-5-6-11-21-15(19)12-18(2)16(20)13-7-9-14(17)10-8-13/h7-10H,3-6,11-12H2,1-2H3
- InChI Key
- WGPRKIYPKZLFAA-UHFFFAOYSA-N
- Formula
- C16H22ClNO3
- SMILES
-
CCCCCCOC(=O)CN(C)C(=O)c1ccc(Cl
)cc1 - Molecular Weight1
- 311.80
- 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 | 0.8159 | Relay (1.0) Calculated Property | |
| ΔfG° | -77.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -572.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.535 | Crippen Calculated Property | |
| McVol | 243.770 | ml/mol | McGowan Calculated Property |
| Pc | 1783.35 | kPa | Joback Calculated Property |
| Inp | [2368.00; 2368.00] |
|
|
| Inp | 2368.00 | NIST | |
| Inp | 2368.00 | NIST | |
| Tboil | 630.16 | K | Relay (1.0) Calculated Property |
| Tc | 836.13 | K | Relay (1.0) Calculated Property |
| Tfus | 305.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.891 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [688.39; 761.15] | J/mol×K | [777.17; 981.98] |
|
| Cp,gas | 688.39 | J/mol×K | 777.17 | Joback Calculated Property |
| Cp,gas | 702.86 | J/mol×K | 811.31 | Joback Calculated Property |
| Cp,gas | 716.34 | J/mol×K | 845.44 | Joback Calculated Property |
| Cp,gas | 728.87 | J/mol×K | 879.58 | Joback Calculated Property |
| Cp,gas | 740.49 | J/mol×K | 913.71 | Joback Calculated Property |
| Cp,gas | 751.24 | J/mol×K | 947.85 | Joback Calculated Property |
| Cp,gas | 761.15 | J/mol×K | 981.98 | Joback Calculated Property |
Similar Compounds
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Sources
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