- InChI
- InChI=1S/C19H27ClO4/c1-4-7-8-12-23-17(21)19(5-2,6-3)18(22)24-14-15-10-9-11-16(20)13-15/h9-11,13H,4-8,12,14H2,1-3H3
- InChI Key
- DCEUOJMFLOERNY-UHFFFAOYSA-N
- Formula
- C19H27ClO4
- SMILES
-
CCCCCOC(=O)C(CC)(CC)C(=O)OCc1c
ccc(Cl)c1 - Molecular Weight1
- 354.87
- 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 | 0.8175 | Relay (1.0) Calculated Property | |
| ΔfG° | -265.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -808.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.923 | Crippen Calculated Property | |
| McVol | 281.930 | ml/mol | McGowan Calculated Property |
| Pc | 1421.85 | kPa | Joback Calculated Property |
| Inp | 2256.00 | NIST | |
| Tboil | 625.73 | K | Relay (1.0) Calculated Property |
| Tc | 840.02 | K | Relay (1.0) Calculated Property |
| Tfus | 282.83 | K | Relay (1.0) Calculated Property |
| Vc | 1.004 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [847.32; 920.80] | J/mol×K | [852.56; 1062.41] | 
|
| Cp,gas | 847.32 | J/mol×K | 852.56 | Joback Calculated Property |
| Cp,gas | 862.22 | J/mol×K | 887.53 | Joback Calculated Property |
| Cp,gas | 876.01 | J/mol×K | 922.51 | Joback Calculated Property |
| Cp,gas | 888.71 | J/mol×K | 957.48 | Joback Calculated Property |
| Cp,gas | 900.38 | J/mol×K | 992.46 | Joback Calculated Property |
| Cp,gas | 911.06 | J/mol×K | 1027.43 | Joback Calculated Property |
| Cp,gas | 920.80 | J/mol×K | 1062.41 | Joback Calculated Property |
| η | [0.0000430; 0.0004879] | Pa×s | [519.49; 852.56] |
|
| η | 0.0004879 | Pa×s | 519.49 | Joback Calculated Property |
| η | 0.0002677 | Pa×s | 575.00 | Joback Calculated Property |
| η | 0.0001632 | Pa×s | 630.51 | Joback Calculated Property |
| η | 0.0001078 | Pa×s | 686.02 | Joback Calculated Property |
| η | 0.0000758 | Pa×s | 741.54 | Joback Calculated Property |
| η | 0.0000560 | Pa×s | 797.05 | Joback Calculated Property |
| η | 0.0000430 | Pa×s | 852.56 | Joback Calculated Property |
Similar Compounds
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Sources
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