- InChI
- InChI=1S/C4H7ClO2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H,6,7)
- InChI Key
- XEEMVPPCXNTVNP-UHFFFAOYSA-N
- Formula
- C4H7ClO2
- SMILES
- CC(Cl)CC(=O)O
- Molecular Weight1
- 122.55
- CAS
- 1951-12-8
- Other Names
-
- Butyric acid, 3-chloro-
- «beta»-Chlorobutyric acid
- 3-Chlorobutanoic acid
- 3-Chlorobutyric acid
- beta-Chlorobutyric acid
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | [-2041.80; -2037.00] | kJ/mol |
|
| ΔcH°liquid | -2041.80 ± 8.40 | kJ/mol | NIST |
| ΔcH°liquid | -2037.00 | kJ/mol | NIST |
| ΔfG° | -297.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -411.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.92 | kJ/mol | Joback Calculated Property |
| log10WS | -0.86 | Crippen Calculated Property | |
| logPoct/wat | 1.088 | Crippen Calculated Property | |
| McVol | 86.900 | ml/mol | McGowan Calculated Property |
| Pc | 4590.15 | kPa | Joback Calculated Property |
| Tboil | 473.96 | K | Joback Calculated Property |
| Tc | 657.92 | K | Joback Calculated Property |
| Tfus | 260.51 | K | Joback Calculated Property |
| Vc | 0.328 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [167.29; 201.77] | J/mol×K | [473.96; 657.92] |
|
| Cp,gas | 167.29 | J/mol×K | 473.96 | Joback Calculated Property |
| Cp,gas | 173.76 | J/mol×K | 504.62 | Joback Calculated Property |
| Cp,gas | 179.93 | J/mol×K | 535.28 | Joback Calculated Property |
| Cp,gas | 185.81 | J/mol×K | 565.94 | Joback Calculated Property |
| Cp,gas | 191.41 | J/mol×K | 596.60 | Joback Calculated Property |
| Cp,gas | 196.72 | J/mol×K | 627.26 | Joback Calculated Property |
| Cp,gas | 201.77 | J/mol×K | 657.92 | Joback Calculated Property |
| η | [0.0002468; 0.0347585] | Pa×s | [260.51; 473.96] |
|
| η | 0.0347585 | Pa×s | 260.51 | Joback Calculated Property |
| η | 0.0092852 | Pa×s | 296.08 | Joback Calculated Property |
| η | 0.0032924 | Pa×s | 331.66 | Joback Calculated Property |
| η | 0.0014271 | Pa×s | 367.24 | Joback Calculated Property |
| η | 0.0007170 | Pa×s | 402.81 | Joback Calculated Property |
| η | 0.0004028 | Pa×s | 438.38 | Joback Calculated Property |
| η | 0.0002468 | Pa×s | 473.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 3-chloro-.
Sources
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