- InChI
- InChI=1S/C21H41ClO2/c1-3-5-6-7-8-9-10-11-12-13-17-20(16-4-2)24-21(23)18-14-15-19-22/h20H,3-19H2,1-2H3
- InChI Key
- XTQZSUCQERUSLW-UHFFFAOYSA-N
- Formula
- C21H41ClO2
- SMILES
- CCCCCCCCCCCCC(CCC)OC(=O)CCCCCl
- Molecular Weight1
- 361.00
- 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 | 0.9997 | Relay (1.0) Calculated Property | |
| ΔfG° | -122.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -835.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.418 | Crippen Calculated Property | |
| McVol | 326.430 | ml/mol | McGowan Calculated Property |
| Pc | 966.27 | kPa | Joback Calculated Property |
| Inp | [2393.40; 2393.40] |
|
|
| Inp | 2393.40 | NIST | |
| Inp | 2393.40 | NIST | |
| Tboil | 607.42 | K | Relay (1.0) Calculated Property |
| Tc | 805.12 | K | Relay (1.0) Calculated Property |
| Tfus | 269.94 | K | Relay (1.0) Calculated Property |
| Vc | 1.230 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1005.53; 1107.26] | J/mol×K | [793.16; 974.19] |
|
| Cp,gas | 1005.53 | J/mol×K | 793.16 | Joback Calculated Property |
| Cp,gas | 1024.93 | J/mol×K | 823.33 | Joback Calculated Property |
| Cp,gas | 1043.31 | J/mol×K | 853.50 | Joback Calculated Property |
| Cp,gas | 1060.71 | J/mol×K | 883.67 | Joback Calculated Property |
| Cp,gas | 1077.14 | J/mol×K | 913.85 | Joback Calculated Property |
| Cp,gas | 1092.65 | J/mol×K | 944.02 | Joback Calculated Property |
| Cp,gas | 1107.26 | J/mol×K | 974.19 | Joback Calculated Property |
| η | [0.0000509; 0.0014045] | Pa×s | [413.51; 793.16] |
|
| η | 0.0014045 | Pa×s | 413.51 | Joback Calculated Property |
| η | 0.0005600 | Pa×s | 476.78 | Joback Calculated Property |
| η | 0.0002769 | Pa×s | 540.06 | Joback Calculated Property |
| η | 0.0001588 | Pa×s | 603.34 | Joback Calculated Property |
| η | 0.0001012 | Pa×s | 666.61 | Joback Calculated Property |
| η | 0.0000697 | Pa×s | 729.88 | Joback Calculated Property |
| η | 0.0000509 | Pa×s | 793.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chlorovaleric acid, 4-hexadecyl ester.
Sources
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