- InChI
- InChI=1S/C23H34ClNO6/c1-2-3-4-5-6-7-8-9-10-16-30-22(26)12-11-13-23(27)31-18-19-14-15-20(24)17-21(19)25(28)29/h14-15,17H,2-13,16,18H2,1H3
- InChI Key
- JULZITCBXSKIJB-UHFFFAOYSA-N
- Formula
- C23H34ClNO6
- SMILES
-
CCCCCCCCCCCOC(=O)CCCC(=O)OCc1c
cc(Cl)cc1[N+](=O)[O-] - Molecular Weight1
- 455.97
- 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 | 1.2354 | Relay (1.0) Calculated Property | |
| ΔfG° | -208.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -931.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.536 | Crippen Calculated Property | |
| McVol | 355.710 | ml/mol | McGowan Calculated Property |
| Pc | 1069.36 | kPa | Joback Calculated Property |
| Inp | 3293.00 | NIST | |
| Tboil | 697.40 | K | Relay (1.0) Calculated Property |
| Tc | 932.71 | K | Relay (1.0) Calculated Property |
| Tfus | 315.06 | K | Relay (1.0) Calculated Property |
| Vc | 1.304 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1187.24; 1231.85] | J/mol×K | [1104.13; 1353.02] | 
|
| Cp,gas | 1187.24 | J/mol×K | 1104.13 | Joback Calculated Property |
| Cp,gas | 1198.65 | J/mol×K | 1145.61 | Joback Calculated Property |
| Cp,gas | 1208.39 | J/mol×K | 1187.09 | Joback Calculated Property |
| Cp,gas | 1216.52 | J/mol×K | 1228.57 | Joback Calculated Property |
| Cp,gas | 1223.10 | J/mol×K | 1270.06 | Joback Calculated Property |
| Cp,gas | 1228.19 | J/mol×K | 1311.54 | Joback Calculated Property |
| Cp,gas | 1231.85 | J/mol×K | 1353.02 | Joback Calculated Property |
Similar Compounds
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Sources
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