- InChI
- InChI=1S/C6H9ClO3/c1-4(8)10-6(2,3)5(7)9/h1-3H3
- InChI Key
- RBTCRFLJLUNCLL-UHFFFAOYSA-N
- Formula
- C6H9ClO3
- SMILES
- CC(=O)OC(C)(C)C(=O)Cl
- Molecular Weight1
- 164.59
- CAS
- 40635-66-3
- Other Names
-
- Propanoyl chloride, 2-(acetyloxy)-2-methyl-
- 2-Chloro-1,1-dimethyl-2-oxoethyl acetate
- 1-Chlorocarbonyl-1-methylethyl acetate
- Acetic acid 2-chloro-1,1-dimethyl-2-oxoethyl ester
- Lactoyl chloride, 2-methyl-, acetate
- 2-acetoxyisobutyroyl chloride
- 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).
- 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 | 0.4128 | Relay (1.0) Calculated Property | |
| ΔfG° | -372.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -653.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.094 | Crippen Calculated Property | |
| McVol | 116.650 | ml/mol | McGowan Calculated Property |
| Pc | 3448.03 | kPa | Joback Calculated Property |
| Tboil | 434.23 | K | Relay (1.0) Calculated Property |
| Tc | 616.31 | K | Relay (1.0) Calculated Property |
| Tfus | 254.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.435 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [241.93; 292.41] | J/mol×K | [501.04; 707.91] | 
|
| Cp,gas | 241.93 | J/mol×K | 501.04 | Joback Calculated Property |
| Cp,gas | 251.69 | J/mol×K | 535.52 | Joback Calculated Property |
| Cp,gas | 260.90 | J/mol×K | 570.00 | Joback Calculated Property |
| Cp,gas | 269.55 | J/mol×K | 604.47 | Joback Calculated Property |
| Cp,gas | 277.68 | J/mol×K | 638.95 | Joback Calculated Property |
| Cp,gas | 285.29 | J/mol×K | 673.43 | Joback Calculated Property |
| Cp,gas | 292.41 | J/mol×K | 707.91 | Joback Calculated Property |
| η | [0.0003181; 0.0031842] | Pa×s | [311.81; 501.04] |
|
| η | 0.0031842 | Pa×s | 311.81 | Joback Calculated Property |
| η | 0.0018184 | Pa×s | 343.35 | Joback Calculated Property |
| η | 0.0011411 | Pa×s | 374.89 | Joback Calculated Property |
| η | 0.0007698 | Pa×s | 406.42 | Joback Calculated Property |
| η | 0.0005496 | Pa×s | 437.96 | Joback Calculated Property |
| η | 0.0004105 | Pa×s | 469.50 | Joback Calculated Property |
| η | 0.0003181 | Pa×s | 501.04 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 328.50 ± 0.50 | K | 0.80 | NIST |
Similar Compounds
Find more compounds similar to 2-Acetoxyisobutyryl chloride.
Sources
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