- InChI
- InChI=1S/C27H43ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-31-26(29)19-20-27(30)32-23-24-17-16-18-25(28)22-24/h16-18,22H,2-15,19-21,23H2,1H3
- InChI Key
- VWCUURDZFGRZRS-UHFFFAOYSA-N
- Formula
- C27H43ClO4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCC(=O)O
Cc1cccc(Cl)c1 - Molecular Weight1
- 467.08
- 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 | 1.2322 | Relay (1.0) Calculated Property | |
| ΔfG° | -200.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -997.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.188 | Crippen Calculated Property | |
| McVol | 394.650 | ml/mol | McGowan Calculated Property |
| Pc | 845.54 | kPa | Joback Calculated Property |
| Inp | [3342.00; 3342.00] |
|
|
| Inp | 3342.00 | NIST | |
| Inp | 3342.00 | NIST | |
| Tboil | 693.32 | K | Relay (1.0) Calculated Property |
| Tc | 894.50 | K | Relay (1.0) Calculated Property |
| Tfus | 301.96 | K | Relay (1.0) Calculated Property |
| Vc | 1.485 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1332.19; 1408.26] | J/mol×K | [1038.83; 1276.26] |
|
| Cp,gas | 1332.19 | J/mol×K | 1038.83 | Joback Calculated Property |
| Cp,gas | 1348.93 | J/mol×K | 1078.40 | Joback Calculated Property |
| Cp,gas | 1363.95 | J/mol×K | 1117.97 | Joback Calculated Property |
| Cp,gas | 1377.32 | J/mol×K | 1157.54 | Joback Calculated Property |
| Cp,gas | 1389.11 | J/mol×K | 1197.12 | Joback Calculated Property |
| Cp,gas | 1399.40 | J/mol×K | 1236.69 | Joback Calculated Property |
| Cp,gas | 1408.26 | J/mol×K | 1276.26 | Joback Calculated Property |
| η | [0.0000163; 0.0002112] | Pa×s | [607.23; 1038.83] |
|
| η | 0.0002112 | Pa×s | 607.23 | Joback Calculated Property |
| η | 0.0001099 | Pa×s | 679.16 | Joback Calculated Property |
| η | 0.0000649 | Pa×s | 751.10 | Joback Calculated Property |
| η | 0.0000420 | Pa×s | 823.03 | Joback Calculated Property |
| η | 0.0000291 | Pa×s | 894.96 | Joback Calculated Property |
| η | 0.0000213 | Pa×s | 966.90 | Joback Calculated Property |
| η | 0.0000163 | Pa×s | 1038.83 | Joback Calculated Property |
Similar Compounds
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Sources
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