- InChI
- InChI=1S/C20H37ClO4/c1-3-4-5-10-13-16-24-19(22)14-11-8-6-7-9-12-15-20(23)25-17-18(2)21/h18H,3-17H2,1-2H3
- InChI Key
- YPPUTKLLCIPIEW-UHFFFAOYSA-N
- Formula
- C20H37ClO4
- SMILES
-
CCCCCCCOC(=O)CCCCCCCCC(=O)OCC(
C)Cl - Molecular Weight1
- 376.96
- 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 | 1.0510 | Relay (1.0) Calculated Property | |
| ΔfG° | -364.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1112.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.791 | Crippen Calculated Property | |
| McVol | 319.780 | ml/mol | McGowan Calculated Property |
| Pc | 1057.57 | kPa | Joback Calculated Property |
| Inp | [2576.00; 2576.00] |
|
|
| Inp | 2576.00 | NIST | |
| Inp | 2576.00 | NIST | |
| Tboil | 626.45 | K | Relay (1.0) Calculated Property |
| Tc | 803.97 | K | Relay (1.0) Calculated Property |
| Tfus | 294.79 | K | Relay (1.0) Calculated Property |
| Vc | 1.220 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1001.30; 1089.45] | J/mol×K | [846.57; 1037.93] |
|
| Cp,gas | 1001.30 | J/mol×K | 846.57 | Joback Calculated Property |
| Cp,gas | 1018.70 | J/mol×K | 878.46 | Joback Calculated Property |
| Cp,gas | 1034.98 | J/mol×K | 910.36 | Joback Calculated Property |
| Cp,gas | 1050.18 | J/mol×K | 942.25 | Joback Calculated Property |
| Cp,gas | 1064.31 | J/mol×K | 974.15 | Joback Calculated Property |
| Cp,gas | 1077.39 | J/mol×K | 1006.04 | Joback Calculated Property |
| Cp,gas | 1089.45 | J/mol×K | 1037.93 | Joback Calculated Property |
| η | [0.0000418; 0.0007660] | Pa×s | [474.40; 846.57] |
|
| η | 0.0007660 | Pa×s | 474.40 | Joback Calculated Property |
| η | 0.0003564 | Pa×s | 536.43 | Joback Calculated Property |
| η | 0.0001943 | Pa×s | 598.46 | Joback Calculated Property |
| η | 0.0001187 | Pa×s | 660.48 | Joback Calculated Property |
| η | 0.0000789 | Pa×s | 722.51 | Joback Calculated Property |
| η | 0.0000560 | Pa×s | 784.54 | Joback Calculated Property |
| η | 0.0000418 | Pa×s | 846.57 | Joback Calculated Property |
Similar Compounds
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Sources
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