- InChI
- InChI=1S/C7H13ClO2/c1-2-10-7(9)5-3-4-6-8/h2-6H2,1H3
- InChI Key
- JHPBGAORCOXWNO-UHFFFAOYSA-N
- Formula
- C7H13ClO2
- SMILES
- CCOC(=O)CCCCCl
- Molecular Weight1
- 164.63
- CAS
- 2323-81-1
- Other Names
-
- 5-Chlorovaleric acid, ethyl ester
- 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.
- I : 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 | 0.5266 | Relay (1.0) Calculated Property | |
| ΔfG° | -314.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -539.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.959 | Crippen Calculated Property | |
| McVol | 129.170 | ml/mol | McGowan Calculated Property |
| Pc | 2707.03 | kPa | Joback Calculated Property |
| Inp | [1130.00; 1145.30] |
|
|
| Inp | 1130.00 | NIST | |
| Inp | 1145.30 | NIST | |
| Inp | 1145.30 | NIST | |
| I | 1670.00 | NIST | |
| Tboil | 465.36 | K | Relay (1.0) Calculated Property |
| Tc | 657.30 | K | Relay (1.0) Calculated Property |
| Tfus | 224.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.484 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [261.17; 321.10] | J/mol×K | [455.41; 634.81] |
|
| Cp,gas | 261.17 | J/mol×K | 455.41 | Joback Calculated Property |
| Cp,gas | 272.25 | J/mol×K | 485.31 | Joback Calculated Property |
| Cp,gas | 282.89 | J/mol×K | 515.21 | Joback Calculated Property |
| Cp,gas | 293.10 | J/mol×K | 545.11 | Joback Calculated Property |
| Cp,gas | 302.86 | J/mol×K | 575.01 | Joback Calculated Property |
| Cp,gas | 312.20 | J/mol×K | 604.91 | Joback Calculated Property |
| Cp,gas | 321.10 | J/mol×K | 634.81 | Joback Calculated Property |
| η | [0.0002662; 0.0053076] | Pa×s | [240.90; 455.41] |
|
| η | 0.0053076 | Pa×s | 240.90 | Joback Calculated Property |
| η | 0.0023351 | Pa×s | 276.65 | Joback Calculated Property |
| η | 0.0012397 | Pa×s | 312.40 | Joback Calculated Property |
| η | 0.0007496 | Pa×s | 348.15 | Joback Calculated Property |
| η | 0.0004978 | Pa×s | 383.91 | Joback Calculated Property |
| η | 0.0003544 | Pa×s | 419.66 | Joback Calculated Property |
| η | 0.0002662 | Pa×s | 455.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, 5-chloro-, ethyl ester.
Sources
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