- InChI
- InChI=1S/C21H39ClO4/c1-19(2)13-12-18-26-21(24)15-11-14-20(23)25-17-10-8-6-4-3-5-7-9-16-22/h19H,3-18H2,1-2H3
- InChI Key
- OVIVWTHODHBCBI-UHFFFAOYSA-N
- Formula
- C21H39ClO4
- SMILES
-
CC(C)CCCOC(=O)CCCC(=O)OCCCCCCC
CCCCl - Molecular Weight1
- 390.99
- 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 | 1.0870 | Relay (1.0) Calculated Property | |
| ΔfG° | -356.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1136.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.039 | Crippen Calculated Property | |
| McVol | 333.870 | ml/mol | McGowan Calculated Property |
| Pc | 994.51 | kPa | Joback Calculated Property |
| Inp | 2782.00 | NIST | |
| Tboil | 636.26 | K | Relay (1.0) Calculated Property |
| Tc | 819.36 | K | Relay (1.0) Calculated Property |
| Tfus | 287.29 | K | Relay (1.0) Calculated Property |
| Vc | 1.260 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1062.28; 1151.76] | J/mol×K | [869.45; 1064.76] | 
|
| Cp,gas | 1062.28 | J/mol×K | 869.45 | Joback Calculated Property |
| Cp,gas | 1080.07 | J/mol×K | 902.00 | Joback Calculated Property |
| Cp,gas | 1096.68 | J/mol×K | 934.55 | Joback Calculated Property |
| Cp,gas | 1112.13 | J/mol×K | 967.10 | Joback Calculated Property |
| Cp,gas | 1126.44 | J/mol×K | 999.66 | Joback Calculated Property |
| Cp,gas | 1139.64 | J/mol×K | 1032.21 | Joback Calculated Property |
| Cp,gas | 1151.76 | J/mol×K | 1064.76 | Joback Calculated Property |
| η | [0.0000359; 0.0006779] | Pa×s | [485.67; 869.45] |
|
| η | 0.0006779 | Pa×s | 485.67 | Joback Calculated Property |
| η | 0.0003124 | Pa×s | 549.63 | Joback Calculated Property |
| η | 0.0001692 | Pa×s | 613.60 | Joback Calculated Property |
| η | 0.0001029 | Pa×s | 677.56 | Joback Calculated Property |
| η | 0.0000682 | Pa×s | 741.52 | Joback Calculated Property |
| η | 0.0000482 | Pa×s | 805.49 | Joback Calculated Property |
| η | 0.0000359 | Pa×s | 869.45 | Joback Calculated Property |
Similar Compounds
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Sources
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