- InChI
- InChI=1S/C8H15ClO2/c1-8(2,3)11-7(10)5-4-6-9/h4-6H2,1-3H3
- InChI Key
- CRSVVUBCNZULGK-UHFFFAOYSA-N
- Formula
- C8H15ClO2
- SMILES
- CC(C)(C)OC(=O)CCCCl
- Molecular Weight1
- 178.66
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -226.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -477.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.65 | kJ/mol | Joback Calculated Property |
| log10WS | -2.30 | Crippen Calculated Property | |
| logPoct/wat | 2.347 | Crippen Calculated Property | |
| McVol | 143.260 | ml/mol | McGowan Calculated Property |
| Pc | 2608.40 | kPa | Joback Calculated Property |
| Inp | [1074.00; 1097.00] |
|
|
| Inp | 1078.00 | NIST | |
| Inp | 1074.00 | NIST | |
| Inp | 1097.00 | NIST | |
| Inp | 1090.00 | NIST | |
| Inp | 1085.00 | NIST | |
| Inp | 1078.00 | NIST | |
| I | [1450.00; 1474.00] |
|
|
| I | 1458.00 | NIST | |
| I | 1474.00 | NIST | |
| I | 1453.00 | NIST | |
| I | 1450.00 | NIST | |
| Tboil | 492.93 | K | Joback Calculated Property |
| Tc | 684.84 | K | Joback Calculated Property |
| Tfus | 284.42 | K | Joback Calculated Property |
| Vc | 0.545 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [310.79; 378.57] | J/mol×K | [492.93; 684.84] |
|
| Cp,gas | 310.79 | J/mol×K | 492.93 | Joback Calculated Property |
| Cp,gas | 323.63 | J/mol×K | 524.91 | Joback Calculated Property |
| Cp,gas | 335.82 | J/mol×K | 556.90 | Joback Calculated Property |
| Cp,gas | 347.40 | J/mol×K | 588.88 | Joback Calculated Property |
| Cp,gas | 358.36 | J/mol×K | 620.87 | Joback Calculated Property |
| Cp,gas | 368.75 | J/mol×K | 652.85 | Joback Calculated Property |
| Cp,gas | 378.57 | J/mol×K | 684.84 | Joback Calculated Property |
| η | [0.0002553; 0.0039634] | Pa×s | [284.42; 492.93] |
|
| η | 0.0039634 | Pa×s | 284.42 | Joback Calculated Property |
| η | 0.0019567 | Pa×s | 319.17 | Joback Calculated Property |
| η | 0.0011096 | Pa×s | 353.92 | Joback Calculated Property |
| η | 0.0006964 | Pa×s | 388.68 | Joback Calculated Property |
| η | 0.0004718 | Pa×s | 423.43 | Joback Calculated Property |
| η | 0.0003391 | Pa×s | 458.18 | Joback Calculated Property |
| η | 0.0002553 | Pa×s | 492.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 4-chloro, 1,1-dimethylethyl ester.
Sources
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