- InChI
- InChI=1S/C23H45ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-26-23(25)20-17-18-21-24/h2-22H2,1H3
- InChI Key
- NIFZBQWHRAITQZ-UHFFFAOYSA-N
- Formula
- C23H45ClO2
- SMILES
- CCCCCCCCCCCCCCCCCCOC(=O)CCCCCl
- Molecular Weight1
- 389.06
- 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).
- 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 | 1.1180 | Relay (1.0) Calculated Property | |
| ΔfG° | -103.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -867.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.200 | Crippen Calculated Property | |
| McVol | 354.610 | ml/mol | McGowan Calculated Property |
| Pc | 856.47 | kPa | Joback Calculated Property |
| Tboil | 627.65 | K | Relay (1.0) Calculated Property |
| Tc | 823.98 | K | Relay (1.0) Calculated Property |
| Tfus | 311.31 | K | Relay (1.0) Calculated Property |
| Vc | 1.371 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1129.17; 1234.92] | J/mol×K | [839.36; 1027.66] | 
|
| Cp,gas | 1129.17 | J/mol×K | 839.36 | Joback Calculated Property |
| Cp,gas | 1149.50 | J/mol×K | 870.74 | Joback Calculated Property |
| Cp,gas | 1168.70 | J/mol×K | 902.13 | Joback Calculated Property |
| Cp,gas | 1186.80 | J/mol×K | 933.51 | Joback Calculated Property |
| Cp,gas | 1203.85 | J/mol×K | 964.89 | Joback Calculated Property |
| Cp,gas | 1219.88 | J/mol×K | 996.28 | Joback Calculated Property |
| Cp,gas | 1234.92 | J/mol×K | 1027.66 | Joback Calculated Property |
| η | [0.0000414; 0.0009116] | Pa×s | [451.05; 839.36] |
|
| η | 0.0009116 | Pa×s | 451.05 | Joback Calculated Property |
| η | 0.0003940 | Pa×s | 515.77 | Joback Calculated Property |
| η | 0.0002053 | Pa×s | 580.49 | Joback Calculated Property |
| η | 0.0001219 | Pa×s | 645.20 | Joback Calculated Property |
| η | 0.0000796 | Pa×s | 709.92 | Joback Calculated Property |
| η | 0.0000558 | Pa×s | 774.64 | Joback Calculated Property |
| η | 0.0000414 | Pa×s | 839.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chlorovaleric acid, octadecyl ester.
Sources
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