- InChI
- InChI=1S/C21H39ClO4/c1-2-3-4-12-18-25-20(23)15-14-16-21(24)26-19-13-10-8-6-5-7-9-11-17-22/h2-19H2,1H3
- InChI Key
- FQHPBGDKGAZLCO-UHFFFAOYSA-N
- Formula
- C21H39ClO4
- SMILES
-
CCCCCCOC(=O)CCCC(=O)OCCCCCCCCC
CCl - 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 | 1.1192 | Relay (1.0) Calculated Property | |
| ΔfG° | -353.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1118.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.183 | Crippen Calculated Property | |
| McVol | 333.870 | ml/mol | McGowan Calculated Property |
| Pc | 989.51 | kPa | Joback Calculated Property |
| Inp | [2818.00; 2818.00] |
|
|
| Inp | 2818.00 | NIST | |
| Inp | 2818.00 | NIST | |
| Tboil | 636.11 | K | Relay (1.0) Calculated Property |
| Tc | 819.16 | K | Relay (1.0) Calculated Property |
| Tfus | 293.95 | K | Relay (1.0) Calculated Property |
| Vc | 1.278 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1061.81; 1151.48] | J/mol×K | [869.89; 1065.07] |
|
| Cp,gas | 1061.81 | J/mol×K | 869.89 | Joback Calculated Property |
| Cp,gas | 1079.61 | J/mol×K | 902.42 | Joback Calculated Property |
| Cp,gas | 1096.23 | J/mol×K | 934.95 | Joback Calculated Property |
| Cp,gas | 1111.70 | J/mol×K | 967.48 | Joback Calculated Property |
| Cp,gas | 1126.05 | J/mol×K | 1000.01 | Joback Calculated Property |
| Cp,gas | 1139.30 | J/mol×K | 1032.54 | Joback Calculated Property |
| Cp,gas | 1151.48 | J/mol×K | 1065.07 | Joback Calculated Property |
| η | [0.0000392; 0.0005888] | Pa×s | [500.67; 869.89] |
|
| η | 0.0005888 | Pa×s | 500.67 | Joback Calculated Property |
| η | 0.0002928 | Pa×s | 562.21 | Joback Calculated Property |
| η | 0.0001671 | Pa×s | 623.74 | Joback Calculated Property |
| η | 0.0001055 | Pa×s | 685.28 | Joback Calculated Property |
| η | 0.0000718 | Pa×s | 746.82 | Joback Calculated Property |
| η | 0.0000519 | Pa×s | 808.35 | Joback Calculated Property |
| η | 0.0000392 | Pa×s | 869.89 | Joback Calculated Property |
Similar Compounds
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Sources
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