- InChI
- InChI=1S/C4H7ClO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)
- InChI Key
- IPLKGJHGWCVSOG-UHFFFAOYSA-N
- Formula
- C4H7ClO2
- SMILES
- O=C(O)CCCCl
- Molecular Weight1
- 122.55
- CAS
- 627-00-9
- Other Names
-
- Butyric acid, 4-chloro-
- «gamma»-Chlorobutyric acid
- Gammachlorobutyric acid
- 4-Chlorobutanoic acid
- 4-Chlorobutyric acid
- Cl(CH2)3COOH
- «gamma»-Chloro-n-butyric acid
- 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).
- 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).
- 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 | 0.6582 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | [-2031.80; -2028.00] | kJ/mol |
|
| ΔcH°liquid | -2031.80 ± 8.40 | kJ/mol | NIST |
| ΔcH°liquid | -2028.00 | kJ/mol | NIST |
| ΔfG° | -373.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -500.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.090 | Crippen Calculated Property | |
| McVol | 86.900 | ml/mol | McGowan Calculated Property |
| Pc | 4162.33 | kPa | Joback Calculated Property |
| Inp | 1063.10 | NIST | |
| Tboil | 490.69 | K | Relay (1.0) Calculated Property |
| Tc | 705.11 | K | Relay (1.0) Calculated Property |
| Tfus | 301.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.314 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 469.20 | K | 2.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [117.36; 244.74] | 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 | 1.67430e+01 | |||
| Coefficient B | 4.41400e-01 | |||
| Coefficient C | -2.86800e-04 | |||
| Coefficient D | 7.34000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 117.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 140.26 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 160.42 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 178.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 193.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 206.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 218.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 228.48 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 237.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 244.74 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016937; 0.0003594] | Pa×s | [325.36; 471.52] |
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 | -1.13825e+01 | |||
| Coefficient B | 1.62734e+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. | 325.36 | |||
| Temperature range, max. | 471.52 | |||
| η | 0.0016937 | Pa×s | 325.36 | Calculated Property |
| η | 0.0013353 | Pa×s | 341.60 | Calculated Property |
| η | 0.0010757 | Pa×s | 357.84 | Calculated Property |
| η | 0.0008830 | Pa×s | 374.08 | Calculated Property |
| η | 0.0007368 | Pa×s | 390.32 | Calculated Property |
| η | 0.0006238 | Pa×s | 406.56 | Calculated Property |
| η | 0.0005349 | Pa×s | 422.80 | Calculated Property |
| η | 0.0004639 | Pa×s | 439.04 | Calculated Property |
| η | 0.0004064 | Pa×s | 455.28 | Calculated Property |
| η | 0.0003594 | Pa×s | 471.52 | Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 4-chloro-.
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