- InChI
- InChI=1S/C28H45ClO4/c1-2-3-4-5-6-9-12-15-22-32-27(30)19-13-10-7-8-11-14-20-28(31)33-23-21-25-17-16-18-26(29)24-25/h16-18,24H,2-15,19-23H2,1H3
- InChI Key
- GPHUBKZBNFWTAB-UHFFFAOYSA-N
- Formula
- C28H45ClO4
- SMILES
-
CCCCCCCCCCOC(=O)CCCCCCCCC(=O)O
CCc1cccc(Cl)c1 - Molecular Weight1
- 481.11
- 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 | 1.2718 | Relay (1.0) Calculated Property | |
| ΔfG° | -192.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1034.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.230 | Crippen Calculated Property | |
| McVol | 408.740 | ml/mol | McGowan Calculated Property |
| Pc | 800.24 | kPa | Joback Calculated Property |
| Inp | [3312.00; 3312.00] |
|
|
| Inp | 3312.00 | NIST | |
| Inp | 3312.00 | NIST | |
| Tboil | 709.14 | K | Relay (1.0) Calculated Property |
| Tc | 899.24 | K | Relay (1.0) Calculated Property |
| Tfus | 298.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.539 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1394.96; 1471.32] | J/mol×K | [1061.71; 1308.18] |
|
| Cp,gas | 1394.96 | J/mol×K | 1061.71 | Joback Calculated Property |
| Cp,gas | 1412.04 | J/mol×K | 1102.79 | Joback Calculated Property |
| Cp,gas | 1427.27 | J/mol×K | 1143.87 | Joback Calculated Property |
| Cp,gas | 1440.73 | J/mol×K | 1184.94 | Joback Calculated Property |
| Cp,gas | 1452.50 | J/mol×K | 1226.02 | Joback Calculated Property |
| Cp,gas | 1462.66 | J/mol×K | 1267.10 | Joback Calculated Property |
| Cp,gas | 1471.32 | J/mol×K | 1308.18 | Joback Calculated Property |
| η | [0.0000139; 0.0001855] | Pa×s | [618.50; 1061.71] |
|
| η | 0.0001855 | Pa×s | 618.50 | Joback Calculated Property |
| η | 0.0000957 | Pa×s | 692.37 | Joback Calculated Property |
| η | 0.0000561 | Pa×s | 766.24 | Joback Calculated Property |
| η | 0.0000361 | Pa×s | 840.11 | Joback Calculated Property |
| η | 0.0000250 | Pa×s | 913.97 | Joback Calculated Property |
| η | 0.0000182 | Pa×s | 987.84 | Joback Calculated Property |
| η | 0.0000139 | Pa×s | 1061.71 | Joback Calculated Property |
Similar Compounds
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Sources
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