- InChI
- InChI=1S/C27H43ClO4/c1-3-4-5-6-7-10-13-16-21-31-26(29)17-14-11-8-9-12-15-18-27(30)32-24-19-20-25(28)23(2)22-24/h19-20,22H,3-18,21H2,1-2H3
- InChI Key
- DXUBBVSFVSRFNI-UHFFFAOYSA-N
- Formula
- C27H43ClO4
- SMILES
-
CCCCCCCCCCOC(=O)CCCCCCCCC(=O)O
c1ccc(Cl)c(C)c1 - Molecular Weight1
- 467.08
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -210.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -892.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 68.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.99 | kJ/mol | Joback Calculated Property |
| log10WS | -9.34 | Crippen Calculated Property | |
| logPoct/wat | 8.359 | Crippen Calculated Property | |
| McVol | 394.650 | ml/mol | McGowan Calculated Property |
| Pc | 838.21 | kPa | Joback Calculated Property |
| Inp | 3500.00 | NIST | |
| Tboil | 1043.81 | K | Joback Calculated Property |
| Tc | 1282.60 | K | Joback Calculated Property |
| Tfus | 619.75 | K | Joback Calculated Property |
| Vc | 1.536 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1331.33; 1405.30] | J/mol×K | [1043.81; 1282.60] | 
|
| Cp,gas | 1331.33 | J/mol×K | 1043.81 | Joback Calculated Property |
| Cp,gas | 1347.88 | J/mol×K | 1083.61 | Joback Calculated Property |
| Cp,gas | 1362.66 | J/mol×K | 1123.41 | Joback Calculated Property |
| Cp,gas | 1375.73 | J/mol×K | 1163.20 | Joback Calculated Property |
| Cp,gas | 1387.15 | J/mol×K | 1203.00 | Joback Calculated Property |
| Cp,gas | 1396.99 | J/mol×K | 1242.80 | Joback Calculated Property |
| Cp,gas | 1405.30 | J/mol×K | 1282.60 | Joback Calculated Property |
| η | [0.0000168; 0.0001886] | Pa×s | [619.75; 1043.81] |
|
| η | 0.0001886 | Pa×s | 619.75 | Joback Calculated Property |
| η | 0.0001025 | Pa×s | 690.43 | Joback Calculated Property |
| η | 0.0000624 | Pa×s | 761.10 | Joback Calculated Property |
| η | 0.0000413 | Pa×s | 831.78 | Joback Calculated Property |
| η | 0.0000292 | Pa×s | 902.46 | Joback Calculated Property |
| η | 0.0000217 | Pa×s | 973.13 | Joback Calculated Property |
| η | 0.0000168 | Pa×s | 1043.81 | Joback Calculated Property |
Similar Compounds
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Sources
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