- InChI
- InChI=1S/C13H23ClO4/c1-3-4-9-17-12(15)7-5-6-8-13(16)18-10-11(2)14/h11H,3-10H2,1-2H3
- InChI Key
- GUVRUDLWCSXQOI-UHFFFAOYSA-N
- Formula
- C13H23ClO4
- SMILES
- CCCCOC(=O)CCCCC(=O)OCC(C)Cl
- Molecular Weight1
- 278.77
- 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 | 0.8027 | Relay (1.0) Calculated Property | |
| ΔfG° | -423.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -977.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.061 | Crippen Calculated Property | |
| McVol | 221.150 | ml/mol | McGowan Calculated Property |
| Pc | 1731.78 | kPa | Joback Calculated Property |
| Inp | [1848.00; 1848.00] |
|
|
| Inp | 1848.00 | NIST | |
| Inp | 1848.00 | NIST | |
| Tboil | 572.46 | K | Relay (1.0) Calculated Property |
| Tc | 737.93 | K | Relay (1.0) Calculated Property |
| Tfus | 254.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.835 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [598.84; 675.35] | J/mol×K | [686.41; 869.92] |
|
| Cp,gas | 598.84 | J/mol×K | 686.41 | Joback Calculated Property |
| Cp,gas | 613.43 | J/mol×K | 716.99 | Joback Calculated Property |
| Cp,gas | 627.27 | J/mol×K | 747.58 | Joback Calculated Property |
| Cp,gas | 640.38 | J/mol×K | 778.16 | Joback Calculated Property |
| Cp,gas | 652.76 | J/mol×K | 808.75 | Joback Calculated Property |
| Cp,gas | 664.42 | J/mol×K | 839.33 | Joback Calculated Property |
| Cp,gas | 675.35 | J/mol×K | 869.92 | Joback Calculated Property |
| η | [0.0001131; 0.0016130] | Pa×s | [395.51; 686.41] |
|
| η | 0.0016130 | Pa×s | 395.51 | Joback Calculated Property |
| η | 0.0008133 | Pa×s | 443.99 | Joback Calculated Property |
| η | 0.0004693 | Pa×s | 492.48 | Joback Calculated Property |
| η | 0.0002988 | Pa×s | 540.96 | Joback Calculated Property |
| η | 0.0002049 | Pa×s | 589.44 | Joback Calculated Property |
| η | 0.0001488 | Pa×s | 637.93 | Joback Calculated Property |
| η | 0.0001131 | Pa×s | 686.41 | Joback Calculated Property |
Similar Compounds
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Sources
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