- InChI
- InChI=1S/C26H49ClO4/c1-2-3-4-18-23-30-25(28)20-15-11-7-8-12-16-21-26(29)31-24-19-14-10-6-5-9-13-17-22-27/h2-24H2,1H3
- InChI Key
- XXCUKWBXJRWIGE-UHFFFAOYSA-N
- Formula
- C26H49ClO4
- SMILES
-
CCCCCCOC(=O)CCCCCCCCC(=O)OCCCC
CCCCCCCl - Molecular Weight1
- 461.12
- 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 | 1.2976 | Relay (1.0) Calculated Property | |
| ΔfG° | -311.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1220.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.134 | Crippen Calculated Property | |
| McVol | 404.320 | ml/mol | McGowan Calculated Property |
| Pc | 746.92 | kPa | Joback Calculated Property |
| Inp | [3306.00; 3306.00] |
|
|
| Inp | 3306.00 | NIST | |
| Inp | 3306.00 | NIST | |
| Tboil | 663.82 | K | Relay (1.0) Calculated Property |
| Tc | 850.69 | K | Relay (1.0) Calculated Property |
| Tfus | 312.28 | K | Relay (1.0) Calculated Property |
| Vc | 1.555 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1375.47; 1472.51] | J/mol×K | [984.29; 1216.16] |
|
| Cp,gas | 1375.47 | J/mol×K | 984.29 | Joback Calculated Property |
| Cp,gas | 1395.92 | J/mol×K | 1022.94 | Joback Calculated Property |
| Cp,gas | 1414.58 | J/mol×K | 1061.58 | Joback Calculated Property |
| Cp,gas | 1431.50 | J/mol×K | 1100.23 | Joback Calculated Property |
| Cp,gas | 1446.76 | J/mol×K | 1138.87 | Joback Calculated Property |
| Cp,gas | 1460.41 | J/mol×K | 1177.52 | Joback Calculated Property |
| Cp,gas | 1472.51 | J/mol×K | 1216.16 | Joback Calculated Property |
| η | [0.0000180; 0.0003134] | Pa×s | [557.02; 984.29] |
|
| η | 0.0003134 | Pa×s | 557.02 | Joback Calculated Property |
| η | 0.0001486 | Pa×s | 628.23 | Joback Calculated Property |
| η | 0.0000820 | Pa×s | 699.44 | Joback Calculated Property |
| η | 0.0000505 | Pa×s | 770.65 | Joback Calculated Property |
| η | 0.0000338 | Pa×s | 841.87 | Joback Calculated Property |
| η | 0.0000241 | Pa×s | 913.08 | Joback Calculated Property |
| η | 0.0000180 | Pa×s | 984.29 | Joback Calculated Property |
Similar Compounds
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Sources
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