- InChI
- InChI=1S/C20H29ClO4/c1-4-7-8-9-14-24-18(22)20(5-2,6-3)19(23)25-15-16-10-12-17(21)13-11-16/h10-13H,4-9,14-15H2,1-3H3
- InChI Key
- NUILIOMYSMDOND-UHFFFAOYSA-N
- Formula
- C20H29ClO4
- SMILES
-
CCCCCCOC(=O)C(CC)(CC)C(=O)OCc1
ccc(Cl)cc1 - Molecular Weight1
- 368.89
- 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 | 0.8623 | Relay (1.0) Calculated Property | |
| ΔfG° | -256.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -832.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.313 | Crippen Calculated Property | |
| McVol | 296.020 | ml/mol | McGowan Calculated Property |
| Pc | 1324.24 | kPa | Joback Calculated Property |
| Inp | 2351.00 | NIST | |
| Tboil | 637.41 | K | Relay (1.0) Calculated Property |
| Tc | 846.98 | K | Relay (1.0) Calculated Property |
| Tfus | 290.10 | K | Relay (1.0) Calculated Property |
| Vc | 1.057 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [905.75; 980.01] | J/mol×K | [875.44; 1085.28] | 
|
| Cp,gas | 905.75 | J/mol×K | 875.44 | Joback Calculated Property |
| Cp,gas | 920.83 | J/mol×K | 910.41 | Joback Calculated Property |
| Cp,gas | 934.77 | J/mol×K | 945.39 | Joback Calculated Property |
| Cp,gas | 947.61 | J/mol×K | 980.36 | Joback Calculated Property |
| Cp,gas | 959.40 | J/mol×K | 1015.34 | Joback Calculated Property |
| Cp,gas | 970.18 | J/mol×K | 1050.31 | Joback Calculated Property |
| Cp,gas | 980.01 | J/mol×K | 1085.28 | Joback Calculated Property |
| η | [0.0000369; 0.0004349] | Pa×s | [530.76; 875.44] |
|
| η | 0.0004349 | Pa×s | 530.76 | Joback Calculated Property |
| η | 0.0002359 | Pa×s | 588.21 | Joback Calculated Property |
| η | 0.0001427 | Pa×s | 645.65 | Joback Calculated Property |
| η | 0.0000937 | Pa×s | 703.10 | Joback Calculated Property |
| η | 0.0000656 | Pa×s | 760.55 | Joback Calculated Property |
| η | 0.0000482 | Pa×s | 817.99 | Joback Calculated Property |
| η | 0.0000369 | Pa×s | 875.44 | Joback Calculated Property |
Similar Compounds
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Sources
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