- InChI
- InChI=1S/C9H17ClO/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3
- InChI Key
- GEKPNPPFAYJZRD-UHFFFAOYSA-N
- Formula
- C9H17ClO
- SMILES
- CC(CC(=O)Cl)CC(C)(C)C
- Molecular Weight1
- 176.68
- CAS
- 36727-29-4
- Other Names
-
- 3,5,5-Trimethylhexanoyl 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° | -115.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -371.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.08 | kJ/mol | Joback Calculated Property |
| log10WS | -3.03 | Crippen Calculated Property | |
| logPoct/wat | 3.214 | Crippen Calculated Property | |
| McVol | 151.480 | ml/mol | McGowan Calculated Property |
| Pc | 2429.05 | kPa | Joback Calculated Property |
| Inp | [1063.00; 1063.00] |
|
|
| Inp | 1063.00 | NIST | |
| Inp | 1063.00 | NIST | |
| Tboil | 492.95 | K | Joback Calculated Property |
| Tc | 687.99 | K | Joback Calculated Property |
| Tfus | 258.46 | K | Joback Calculated Property |
| Vc | 0.578 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [330.57; 406.08] | J/mol×K | [492.95; 687.99] |
|
| Cp,gas | 330.57 | J/mol×K | 492.95 | Joback Calculated Property |
| Cp,gas | 345.04 | J/mol×K | 525.46 | Joback Calculated Property |
| Cp,gas | 358.71 | J/mol×K | 557.96 | Joback Calculated Property |
| Cp,gas | 371.61 | J/mol×K | 590.47 | Joback Calculated Property |
| Cp,gas | 383.79 | J/mol×K | 622.98 | Joback Calculated Property |
| Cp,gas | 395.27 | J/mol×K | 655.48 | Joback Calculated Property |
| Cp,gas | 406.08 | J/mol×K | 687.99 | Joback Calculated Property |
| η | [0.0002716; 0.0082353] | Pa×s | [258.46; 492.95] |
|
| η | 0.0082353 | Pa×s | 258.46 | Joback Calculated Property |
| η | 0.0032103 | Pa×s | 297.54 | Joback Calculated Property |
| η | 0.0015574 | Pa×s | 336.62 | Joback Calculated Property |
| η | 0.0008783 | Pa×s | 375.70 | Joback Calculated Property |
| η | 0.0005517 | Pa×s | 414.79 | Joback Calculated Property |
| η | 0.0003755 | Pa×s | 453.87 | Joback Calculated Property |
| η | 0.0002716 | Pa×s | 492.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoyl chloride, 3,5,5-trimethyl-.
Sources
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