- InChI
- InChI=1S/C9H17ClO2/c1-4-9(2,3)12-8(11)6-5-7-10/h4-7H2,1-3H3
- InChI Key
- RRLWZGBKVDJTRH-UHFFFAOYSA-N
- Formula
- C9H17ClO2
- SMILES
- CCC(C)(C)OC(=O)CCCCl
- Molecular Weight1
- 192.68
- 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° | -218.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -498.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.87 | kJ/mol | Joback Calculated Property |
| log10WS | -2.72 | Crippen Calculated Property | |
| logPoct/wat | 2.737 | Crippen Calculated Property | |
| McVol | 157.350 | ml/mol | McGowan Calculated Property |
| Pc | 2370.28 | kPa | Joback Calculated Property |
| Inp | [1180.00; 1207.00] |
|
|
| Inp | 1184.00 | NIST | |
| Inp | 1180.00 | NIST | |
| Inp | Outlier 1207.00 | NIST | |
| Inp | 1191.00 | NIST | |
| Inp | 1188.00 | NIST | |
| Inp | 1184.00 | NIST | |
| I | [1552.00; 1583.00] |
|
|
| I | 1565.00 | NIST | |
| I | 1583.00 | NIST | |
| I | 1552.00 | NIST | |
| I | 1556.00 | NIST | |
| I | 1565.00 | NIST | |
| Tboil | 515.81 | K | Joback Calculated Property |
| Tc | 705.44 | K | Joback Calculated Property |
| Tfus | 295.69 | K | Joback Calculated Property |
| Vc | 0.602 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [355.29; 427.81] | J/mol×K | [515.81; 705.44] |
|
| Cp,gas | 355.29 | J/mol×K | 515.81 | Joback Calculated Property |
| Cp,gas | 369.02 | J/mol×K | 547.41 | Joback Calculated Property |
| Cp,gas | 382.06 | J/mol×K | 579.02 | Joback Calculated Property |
| Cp,gas | 394.44 | J/mol×K | 610.62 | Joback Calculated Property |
| Cp,gas | 406.18 | J/mol×K | 642.23 | Joback Calculated Property |
| Cp,gas | 417.29 | J/mol×K | 673.83 | Joback Calculated Property |
| Cp,gas | 427.81 | J/mol×K | 705.44 | Joback Calculated Property |
| η | [0.0002295; 0.0037624] | Pa×s | [295.69; 515.81] |
|
| η | 0.0037624 | Pa×s | 295.69 | Joback Calculated Property |
| η | 0.0018251 | Pa×s | 332.38 | Joback Calculated Property |
| η | 0.0010222 | Pa×s | 369.06 | Joback Calculated Property |
| η | 0.0006358 | Pa×s | 405.75 | Joback Calculated Property |
| η | 0.0004279 | Pa×s | 442.44 | Joback Calculated Property |
| η | 0.0003060 | Pa×s | 479.12 | Joback Calculated Property |
| η | 0.0002295 | Pa×s | 515.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 4-chloro, 1,1-dimethylpropyl ester.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.