- InChI
- InChI=1S/C8H15ClO2/c1-6(9)5-7(10)11-8(2,3)4/h6H,5H2,1-4H3
- InChI Key
- CFBIYOIMTDPIIO-UHFFFAOYSA-N
- Formula
- C8H15ClO2
- SMILES
- CC(Cl)CC(=O)OC(C)(C)C
- Molecular Weight1
- 178.66
- 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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ω | 0.4599 | Relay (1.0) Calculated Property | |
| ΔfG° | -228.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -596.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.345 | Crippen Calculated Property | |
| McVol | 143.260 | ml/mol | McGowan Calculated Property |
| Pc | 2629.85 | kPa | Joback Calculated Property |
| Inp | [1009.00; 1034.00] |
|
|
| Inp | 1015.00 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | 1034.00 | NIST | |
| Inp | 1027.00 | NIST | |
| Inp | 1023.00 | NIST | |
| I | [1344.00; 1376.00] |
|
|
| I | 1352.00 | NIST | |
| I | 1376.00 | NIST | |
| I | 1349.00 | NIST | |
| I | 1344.00 | NIST | |
| Tboil | 432.98 | K | Relay (1.0) Calculated Property |
| Tc | 630.28 | K | Relay (1.0) Calculated Property |
| Tfus | 254.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.527 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [311.00; 380.41] | J/mol×K | [492.49; 688.63] |
|
| Cp,gas | 311.00 | J/mol×K | 492.49 | Joback Calculated Property |
| Cp,gas | 324.20 | J/mol×K | 525.18 | Joback Calculated Property |
| Cp,gas | 336.72 | J/mol×K | 557.87 | Joback Calculated Property |
| Cp,gas | 348.58 | J/mol×K | 590.56 | Joback Calculated Property |
| Cp,gas | 359.80 | J/mol×K | 623.25 | Joback Calculated Property |
| Cp,gas | 370.40 | J/mol×K | 655.94 | Joback Calculated Property |
| Cp,gas | 380.41 | J/mol×K | 688.63 | Joback Calculated Property |
| η | [0.0002420; 0.0057226] | Pa×s | [269.42; 492.49] |
|
| η | 0.0057226 | Pa×s | 269.42 | Joback Calculated Property |
| η | 0.0024535 | Pa×s | 306.60 | Joback Calculated Property |
| η | 0.0012634 | Pa×s | 343.78 | Joback Calculated Property |
| η | 0.0007405 | Pa×s | 380.96 | Joback Calculated Property |
| η | 0.0004773 | Pa×s | 418.13 | Joback Calculated Property |
| η | 0.0003305 | Pa×s | 455.31 | Joback Calculated Property |
| η | 0.0002420 | Pa×s | 492.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 3-chloro, 1,1-dimethylethyl ester.
Sources
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