- InChI
- InChI=1S/C23H35ClO4/c1-3-4-5-6-7-8-9-10-11-14-17-27-22(25)20-15-12-13-16-21(20)23(26)28-18-19(2)24/h12-13,15-16,19H,3-11,14,17-18H2,1-2H3
- InChI Key
- RCRSXBSGHRCJAP-UHFFFAOYSA-N
- Formula
- C23H35ClO4
- SMILES
-
CCCCCCCCCCCCOC(=O)c1ccccc1C(=O
)OCC(C)Cl - Molecular Weight1
- 410.98
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 1.1180 | Relay (1.0) Calculated Property | |
| ΔfG° | -236.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -931.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.548 | Crippen Calculated Property | |
| McVol | 338.290 | ml/mol | McGowan Calculated Property |
| Pc | 1077.10 | kPa | Joback Calculated Property |
| Inp | [2863.00; 2863.00] |
|
|
| Inp | 2863.00 | NIST | |
| Inp | 2863.00 | NIST | |
| Tboil | 668.09 | K | Relay (1.0) Calculated Property |
| Tc | 880.61 | K | Relay (1.0) Calculated Property |
| Tfus | 293.41 | K | Relay (1.0) Calculated Property |
| Vc | 1.259 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1085.40; 1159.65] | J/mol×K | [946.87; 1160.48] |
|
| Cp,gas | 1085.40 | J/mol×K | 946.87 | Joback Calculated Property |
| Cp,gas | 1101.01 | J/mol×K | 982.47 | Joback Calculated Property |
| Cp,gas | 1115.28 | J/mol×K | 1018.07 | Joback Calculated Property |
| Cp,gas | 1128.24 | J/mol×K | 1053.67 | Joback Calculated Property |
| Cp,gas | 1139.93 | J/mol×K | 1089.28 | Joback Calculated Property |
| Cp,gas | 1150.38 | J/mol×K | 1124.88 | Joback Calculated Property |
| Cp,gas | 1159.65 | J/mol×K | 1160.48 | Joback Calculated Property |
| η | [0.0000276; 0.0003816] | Pa×s | [547.15; 946.87] |
|
| η | 0.0003816 | Pa×s | 547.15 | Joback Calculated Property |
| η | 0.0001942 | Pa×s | 613.77 | Joback Calculated Property |
| η | 0.0001128 | Pa×s | 680.39 | Joback Calculated Property |
| η | 0.0000722 | Pa×s | 747.01 | Joback Calculated Property |
| η | 0.0000497 | Pa×s | 813.63 | Joback Calculated Property |
| η | 0.0000362 | Pa×s | 880.25 | Joback Calculated Property |
| η | 0.0000276 | Pa×s | 946.87 | Joback Calculated Property |
Similar Compounds
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Sources
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