- InChI
- InChI=1S/C5H9ClO/c1-5(2,3)4(6)7/h1-3H3
- InChI Key
- JVSFQJZRHXAUGT-UHFFFAOYSA-N
- Formula
- C5H9ClO
- SMILES
- CC(C)(C)C(=O)Cl
- Molecular Weight1
- 120.58
- Other Names
-
- 2,2,2-Trimethylacetyl chloride
- 2,2-Dimethylpropanoyl chloride
- 2,2-Dimethylpropionyl chloride
- Acetyl chloride, trimethyl-
- Neopentanoyl chloride
- Pivalic acid chloride
- Pivalolyl chloride
- Pivaloyl chloride
- Pivalyl chloride
- Trimethylacetyl chloride
- UN 2438
- 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).
- 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 | 0.2916 | Relay (1.0) Calculated Property | |
| ΔfG° | -146.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -321.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.798 | Crippen Calculated Property | |
| McVol | 95.120 | ml/mol | McGowan Calculated Property |
| Pc | 3659.77 | kPa | Joback Calculated Property |
| Tboil | [376.00; 378.70] | K |
|
| Tboil | 378.70 | K | NIST |
| Tboil | 376.00 ± 1.00 | K | NIST |
| Tboil | 376.00 ± 3.00 | K | NIST |
| Tboil | 377.00 ± 2.00 | K | NIST |
| Tc | 554.82 | K | Relay (1.0) Calculated Property |
| Tfus | 216.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.352 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [124.42; 276.04] | 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 | -5.88000e+00 | |||
| Coefficient B | 5.83460e-01 | |||
| Coefficient C | -4.21700e-04 | |||
| Coefficient D | 1.20160e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 124.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 153.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 177.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 199.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 217.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 233.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 246.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 257.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 267.46 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 276.04 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0085234; 0.0003339] | Pa×s | [216.15; 420.96] |
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 | -1.14237e+01 | |||
| Coefficient B | 1.43929e+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. | 216.15 | |||
| Temperature range, max. | 420.96 | |||
| η | 0.0085234 | Pa×s | 216.15 | Calculated Property |
| η | 0.0045201 | Pa×s | 238.91 | Calculated Property |
| η | 0.0026767 | Pa×s | 261.66 | Calculated Property |
| η | 0.0017237 | Pa×s | 284.42 | Calculated Property |
| η | 0.0011848 | Pa×s | 307.18 | Calculated Property |
| η | 0.0008576 | Pa×s | 329.94 | Calculated Property |
| η | 0.0006472 | Pa×s | 352.69 | Calculated Property |
| η | 0.0005054 | Pa×s | 375.45 | Calculated Property |
| η | 0.0004060 | Pa×s | 398.21 | Calculated Property |
| η | 0.0003339 | Pa×s | 420.96 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanoyl chloride, 2,2-dimethyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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