- 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.
- Ip : 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 | |
| Ip | 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [183.72; 396.84] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.48250e+01 | |||
| Coefficient B | 6.20820e-01 | |||
| Coefficient C | -2.82800e-04 | |||
| Coefficient D | 2.40000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 183.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 220.13 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 253.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 282.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 309.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 332.92 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 353.29 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 370.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 385.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 396.85 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0053076; 0.0002894] | Pa×s | [240.90; 444.37] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.15923e+01 | |||
| Coefficient B | 1.53060e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 240.90 | |||
| Temperature range, max. | 444.37 | |||
| η | 0.0053076 | Pa×s | 240.90 | Calculated Property |
| η | 0.0030772 | Pa×s | 263.51 | Calculated Property |
| η | 0.0019446 | Pa×s | 286.12 | Calculated Property |
| η | 0.0013143 | Pa×s | 308.72 | Calculated Property |
| η | 0.0009371 | Pa×s | 331.33 | Calculated Property |
| η | 0.0006976 | Pa×s | 353.94 | Calculated Property |
| η | 0.0005381 | Pa×s | 376.55 | Calculated Property |
| η | 0.0004274 | Pa×s | 399.15 | Calculated Property |
| η | 0.0003480 | Pa×s | 421.76 | Calculated Property |
| η | 0.0002894 | Pa×s | 444.37 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, 5-chloro-, ethyl ester.
Sources
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