- InChI
- InChI=1S/C21H32ClNO3/c1-3-4-5-6-7-8-9-10-11-16-26-20(24)17-23(2)21(25)18-12-14-19(22)15-13-18/h12-15H,3-11,16-17H2,1-2H3
- InChI Key
- GJYSOEJLPGTJJA-UHFFFAOYSA-N
- Formula
- C21H32ClNO3
- SMILES
-
CCCCCCCCCCCOC(=O)CN(C)C(=O)c1c
cc(Cl)cc1 - Molecular Weight1
- 381.94
- 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 | 1.0114 | Relay (1.0) Calculated Property | |
| ΔfG° | -35.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -681.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.486 | Crippen Calculated Property | |
| McVol | 314.220 | ml/mol | McGowan Calculated Property |
| Pc | 1232.88 | kPa | Joback Calculated Property |
| Inp | [2931.00; 2931.00] |
|
|
| Inp | 2931.00 | NIST | |
| Inp | 2931.00 | NIST | |
| Tboil | 665.69 | K | Relay (1.0) Calculated Property |
| Tc | 875.90 | K | Relay (1.0) Calculated Property |
| Tfus | 314.76 | K | Relay (1.0) Calculated Property |
| Vc | 1.166 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [977.96; 1056.66] | J/mol×K | [891.57; 1097.17] |
|
| Cp,gas | 977.96 | J/mol×K | 891.57 | Joback Calculated Property |
| Cp,gas | 993.70 | J/mol×K | 925.84 | Joback Calculated Property |
| Cp,gas | 1008.33 | J/mol×K | 960.10 | Joback Calculated Property |
| Cp,gas | 1021.88 | J/mol×K | 994.37 | Joback Calculated Property |
| Cp,gas | 1034.42 | J/mol×K | 1028.64 | Joback Calculated Property |
| Cp,gas | 1046.00 | J/mol×K | 1062.91 | Joback Calculated Property |
| Cp,gas | 1056.66 | J/mol×K | 1097.17 | Joback Calculated Property |
Similar Compounds
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Sources
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