- InChI
- InChI=1S/C5H9ClO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3
- InChI Key
- ISULZYQDGYXDFW-UHFFFAOYSA-N
- Formula
- C5H9ClO
- SMILES
- CC(C)CC(=O)Cl
- Molecular Weight1
- 120.58
- CAS
- 108-12-3
- Other Names
-
- Isovaleryl chloride
- Isopentanoyl chloride
- Isovaleric acid chloride
- Isovaleric chloride
- Isovaleroyl chloride
- 3-Methylbutanoyl chloride
- 3-Methylbutyryl chloride
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -152.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -280.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.47 | kJ/mol | Joback Calculated Property |
| log10WS | -1.60 | Crippen Calculated Property | |
| logPoct/wat | 1.798 | Crippen Calculated Property | |
| McVol | 95.120 | ml/mol | McGowan Calculated Property |
| Pc | 3611.55 | kPa | Joback Calculated Property |
| Inp | 757.60 | NIST | |
| Tboil | 389.20 | K | NIST |
| Tc | 595.49 | K | Joback Calculated Property |
| Tfus | 210.96 | K | Joback Calculated Property |
| Vc | 0.364 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.21; 213.28] | J/mol×K | [404.66; 595.49] | 
|
| Cp,gas | 166.21 | J/mol×K | 404.66 | Joback Calculated Property |
| Cp,gas | 174.99 | J/mol×K | 436.47 | Joback Calculated Property |
| Cp,gas | 183.38 | J/mol×K | 468.27 | Joback Calculated Property |
| Cp,gas | 191.40 | J/mol×K | 500.08 | Joback Calculated Property |
| Cp,gas | 199.04 | J/mol×K | 531.88 | Joback Calculated Property |
| Cp,gas | 206.34 | J/mol×K | 563.69 | Joback Calculated Property |
| Cp,gas | 213.28 | J/mol×K | 595.49 | Joback Calculated Property |
| η | [0.0003464; 0.0057299] | Pa×s | [210.96; 404.66] |
|
| η | 0.0057299 | Pa×s | 210.96 | Joback Calculated Property |
| η | 0.0026320 | Pa×s | 243.24 | Joback Calculated Property |
| η | 0.0014508 | Pa×s | 275.53 | Joback Calculated Property |
| η | 0.0009061 | Pa×s | 307.81 | Joback Calculated Property |
| η | 0.0006188 | Pa×s | 340.09 | Joback Calculated Property |
| η | 0.0004515 | Pa×s | 372.38 | Joback Calculated Property |
| η | 0.0003464 | Pa×s | 404.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoyl chloride, 3-methyl-.
Sources
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