- InChI
- InChI=1S/C22H39ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-26-21(24)16-17-22(25)27-19-20(2)23/h16-17,20H,3-15,18-19H2,1-2H3/b17-16+
- InChI Key
- MQORINRNGKZFOW-WUKNDPDISA-N
- Formula
- C22H39ClO4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C=CC(=O)O
CC(C)Cl - Molecular Weight1
- 403.00
- 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 | 1.1005 | Relay (1.0) Calculated Property | |
| ΔfG° | -267.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1057.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.347 | Crippen Calculated Property | |
| McVol | 343.660 | ml/mol | McGowan Calculated Property |
| Pc | 967.47 | kPa | Joback Calculated Property |
| Inp | [2768.00; 2768.00] |
|
|
| Inp | 2768.00 | NIST | |
| Inp | 2768.00 | NIST | |
| Tboil | 636.95 | K | Relay (1.0) Calculated Property |
| Tc | 821.65 | K | Relay (1.0) Calculated Property |
| Tfus | 319.33 | K | Relay (1.0) Calculated Property |
| Vc | 1.283 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1096.81; 1185.97] | J/mol×K | [896.49; 1097.65] |
|
| Cp,gas | 1096.81 | J/mol×K | 896.49 | Joback Calculated Property |
| Cp,gas | 1114.47 | J/mol×K | 930.02 | Joback Calculated Property |
| Cp,gas | 1130.95 | J/mol×K | 963.54 | Joback Calculated Property |
| Cp,gas | 1146.31 | J/mol×K | 997.07 | Joback Calculated Property |
| Cp,gas | 1160.57 | J/mol×K | 1030.60 | Joback Calculated Property |
| Cp,gas | 1173.78 | J/mol×K | 1064.13 | Joback Calculated Property |
| Cp,gas | 1185.97 | J/mol×K | 1097.65 | Joback Calculated Property |
| η | [0.0000269; 0.0005576] | Pa×s | [491.86; 896.49] |
|
| η | 0.0005576 | Pa×s | 491.86 | Joback Calculated Property |
| η | 0.0002481 | Pa×s | 559.30 | Joback Calculated Property |
| η | 0.0001314 | Pa×s | 626.74 | Joback Calculated Property |
| η | 0.0000787 | Pa×s | 694.17 | Joback Calculated Property |
| η | 0.0000516 | Pa×s | 761.61 | Joback Calculated Property |
| η | 0.0000363 | Pa×s | 829.05 | Joback Calculated Property |
| η | 0.0000269 | Pa×s | 896.49 | Joback Calculated Property |
Similar Compounds
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Sources
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