- InChI
- InChI=1S/C11H19ClO4/c1-8(2)6-15-10(13)4-5-11(14)16-7-9(3)12/h8-9H,4-7H2,1-3H3
- InChI Key
- SLQQAJCFLZYRKR-UHFFFAOYSA-N
- Formula
- C11H19ClO4
- SMILES
- CC(C)COC(=O)CCC(=O)OCC(C)Cl
- Molecular Weight1
- 250.72
- 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 | 0.6935 | Relay (1.0) Calculated Property | |
| ΔfG° | -442.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -951.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.136 | Crippen Calculated Property | |
| McVol | 192.970 | ml/mol | McGowan Calculated Property |
| Pc | 2060.49 | kPa | Joback Calculated Property |
| Inp | [1590.00; 1590.00] |
|
|
| Inp | 1590.00 | NIST | |
| Inp | 1590.00 | NIST | |
| Tboil | 545.58 | K | Relay (1.0) Calculated Property |
| Tc | 710.61 | K | Relay (1.0) Calculated Property |
| Tfus | 280.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.723 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [494.59; 566.92] | J/mol×K | [640.21; 829.30] |
|
| Cp,gas | 494.59 | J/mol×K | 640.21 | Joback Calculated Property |
| Cp,gas | 508.34 | J/mol×K | 671.72 | Joback Calculated Property |
| Cp,gas | 521.42 | J/mol×K | 703.24 | Joback Calculated Property |
| Cp,gas | 533.81 | J/mol×K | 734.75 | Joback Calculated Property |
| Cp,gas | 545.53 | J/mol×K | 766.27 | Joback Calculated Property |
| Cp,gas | 556.56 | J/mol×K | 797.78 | Joback Calculated Property |
| Cp,gas | 566.92 | J/mol×K | 829.30 | Joback Calculated Property |
| η | [0.0001359; 0.0023947] | Pa×s | [357.97; 640.21] |
|
| η | 0.0023947 | Pa×s | 357.97 | Joback Calculated Property |
| η | 0.0011245 | Pa×s | 405.01 | Joback Calculated Property |
| η | 0.0006180 | Pa×s | 452.05 | Joback Calculated Property |
| η | 0.0003802 | Pa×s | 499.09 | Joback Calculated Property |
| η | 0.0002544 | Pa×s | 546.13 | Joback Calculated Property |
| η | 0.0001814 | Pa×s | 593.17 | Joback Calculated Property |
| η | 0.0001359 | Pa×s | 640.21 | Joback Calculated Property |
Similar Compounds
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Sources
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