- InChI
- InChI=1S/C8H15ClO2/c1-2-3-7-11-8(10)5-4-6-9/h2-7H2,1H3
- InChI Key
- GKEGQZISIPAXAX-UHFFFAOYSA-N
- Formula
- C8H15ClO2
- SMILES
- CCCCOC(=O)CCCCl
- Molecular Weight1
- 178.66
- Other Names
-
- n-Butyl-4-chlorobutyrate
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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 | 0.5812 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | [-4697.40; -4688.60] | kJ/mol |
|
| ΔcH°liquid | -4697.40 ± 8.40 | kJ/mol | NIST |
| ΔcH°liquid | -4688.60 | kJ/mol | NIST |
| ΔfG° | -305.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -563.60 ± 9.60 | kJ/mol | NIST |
| ΔfH°liquid | -618.00 ± 8.40 | kJ/mol | NIST |
| ΔfusH° | 25.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.40 ± 4.20 | kJ/mol | NIST |
| IE | 10.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.349 | Crippen Calculated Property | |
| McVol | 143.260 | ml/mol | McGowan Calculated Property |
| Pc | 2455.60 | kPa | Joback Calculated Property |
| Inp | [1202.00; 1216.00] |
|
|
| Inp | 1215.00 | NIST | |
| Inp | 1216.00 | NIST | |
| Inp | 1202.00 | NIST | |
| Inp | 1208.00 | NIST | |
| Tboil | 478.63 | K | Relay (1.0) Calculated Property |
| Tc | 670.77 | K | Relay (1.0) Calculated Property |
| Tfus | 200.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.539 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [204.93; 448.44] | 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 | 3.39160e+01 | |||
| Coefficient B | 7.15820e-01 | |||
| Coefficient C | -3.37200e-04 | |||
| Coefficient D | 3.59000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 204.93 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 246.54 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 284.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 318.17 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 348.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 375.08 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 398.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 418.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 434.87 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 448.44 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0051621; 0.0002825] | Pa×s | [252.17; 459.29] |
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 | -1.17095e+01 | |||
| Coefficient B | 1.62476e+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. | 252.17 | |||
| Temperature range, max. | 459.29 | |||
| η | 0.0051621 | Pa×s | 252.17 | Calculated Property |
| η | 0.0030117 | Pa×s | 275.18 | Calculated Property |
| η | 0.0019095 | Pa×s | 298.20 | Calculated Property |
| η | 0.0012924 | Pa×s | 321.21 | Calculated Property |
| η | 0.0009215 | Pa×s | 344.22 | Calculated Property |
| η | 0.0006856 | Pa×s | 367.24 | Calculated Property |
| η | 0.0005281 | Pa×s | 390.25 | Calculated Property |
| η | 0.0004188 | Pa×s | 413.27 | Calculated Property |
| η | 0.0003404 | Pa×s | 436.28 | Calculated Property |
| η | 0.0002825 | Pa×s | 459.29 | Calculated Property |
Similar Compounds
Find more compounds similar to Butyl 4-chlorobutanoate.
Sources
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