- InChI
- InChI=1S/C6H11ClO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3
- InChI Key
- PYLDCZJUHYVOAF-UHFFFAOYSA-N
- Formula
- C6H11ClO2
- SMILES
- CC(=O)OCCCCCl
- Molecular Weight1
- 150.61
- Other Names
-
- 4-Chloro-n-butyl acetate
- 4-Chlorobutyl acetate
- 1-Acetoxy-4-chlorobutane
- 1-Chloro-4-acetoxybutane
- 4-Chlorbut-1-ylacetat
- 4-Chloro-1-butanol acetate
- «delta»-Chlorobutyl acetate
- 1-Butanol, 4-chloro-, 1-acetate
- NSC 53492
- NSC 54074
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.4922 | Relay (1.0) Calculated Property | |
| ΔfG° | -322.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -519.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.569 | Crippen Calculated Property | |
| McVol | 115.080 | ml/mol | McGowan Calculated Property |
| Pc | 2999.15 | kPa | Joback Calculated Property |
| Inp | [1008.00; 1038.00] |
|
|
| Inp | 1021.00 | NIST | |
| Inp | 1033.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 1033.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Ip | [1523.00; 1585.00] |
|
|
| Ip | 1533.00 | NIST | |
| Ip | 1540.00 | NIST | |
| Ip | Outlier 1585.00 | NIST | |
| Ip | 1523.00 | NIST | |
| Ip | 1539.00 | NIST | |
| Ip | 1533.00 | NIST | |
| Tboil | 457.61 | K | Relay (1.0) Calculated Property |
| Tc | 643.98 | K | Relay (1.0) Calculated Property |
| Tfus | 219.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.429 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 365.20 | K | 2.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [162.51; 345.25] | 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 | 3.57340e+01 | |||
| Coefficient B | 5.25820e-01 | |||
| Coefficient C | -2.28400e-04 | |||
| Coefficient D | 1.21000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 162.51 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 193.71 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 222.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 247.71 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 270.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 290.76 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 308.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 323.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 335.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 345.25 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0053702; 0.0002925] | Pa×s | [229.63; 429.39] |
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 | -1.14823e+01 | |||
| Coefficient B | 1.43644e+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. | 229.63 | |||
| Temperature range, max. | 429.39 | |||
| η | 0.0053702 | Pa×s | 229.63 | Calculated Property |
| η | 0.0030942 | Pa×s | 251.83 | Calculated Property |
| η | 0.0019493 | Pa×s | 274.02 | Calculated Property |
| η | 0.0013161 | Pa×s | 296.22 | Calculated Property |
| η | 0.0009386 | Pa×s | 318.41 | Calculated Property |
| η | 0.0006996 | Pa×s | 340.61 | Calculated Property |
| η | 0.0005405 | Pa×s | 362.80 | Calculated Property |
| η | 0.0004302 | Pa×s | 385.00 | Calculated Property |
| η | 0.0003510 | Pa×s | 407.20 | Calculated Property |
| η | 0.0002925 | Pa×s | 429.39 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butanol, 4-chloro-, acetate.
Sources
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