- InChI
- InChI=1S/C8H15ClO2/c1-6(2)5-11-8(10)4-7(3)9/h6-7H,4-5H2,1-3H3
- InChI Key
- HRVVBUFBYXPDEB-UHFFFAOYSA-N
- Formula
- C8H15ClO2
- SMILES
- CC(C)COC(=O)CC(C)Cl
- Molecular Weight1
- 178.66
- CAS
- 62108-76-3
- Other Names
-
- Isobutyl 3-chlorobutyrate
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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 |
|---|---|---|---|
| ΔcH°liquid | -4691.90 ± 8.40 | kJ/mol | NIST |
| ΔfG° | -234.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -571.10 ± 9.60 | kJ/mol | NIST |
| ΔfH°liquid | -623.40 ± 8.40 | kJ/mol | NIST |
| ΔfusH° | 16.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.30 ± 4.20 | kJ/mol | NIST |
| log10WS | -2.06 | Crippen Calculated Property | |
| logPoct/wat | 2.203 | Crippen Calculated Property | |
| McVol | 143.260 | ml/mol | McGowan Calculated Property |
| Pc | 2600.43 | kPa | Joback Calculated Property |
| Inp | [1081.00; 1105.00] |
|
|
| Inp | 1085.00 | NIST | |
| Inp | 1081.00 | NIST | |
| Inp | 1105.00 | NIST | |
| Inp | 1097.00 | NIST | |
| Inp | 1092.00 | NIST | |
| I | [1464.00; 1488.00] |
|
|
| I | 1472.00 | NIST | |
| I | 1488.00 | NIST | |
| I | 1468.00 | NIST | |
| I | 1464.00 | NIST | |
| I | 1472.00 | NIST | |
| Tboil | 495.28 | K | Joback Calculated Property |
| Tc | 683.89 | K | Joback Calculated Property |
| Tfus | 252.00 | K | Joback Calculated Property |
| Vc | 0.544 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [308.11; 375.47] | J/mol×K | [495.28; 683.89] |
|
| Cp,gas | 308.11 | J/mol×K | 495.28 | Joback Calculated Property |
| Cp,gas | 320.63 | J/mol×K | 526.72 | Joback Calculated Property |
| Cp,gas | 332.62 | J/mol×K | 558.15 | Joback Calculated Property |
| Cp,gas | 344.09 | J/mol×K | 589.59 | Joback Calculated Property |
| Cp,gas | 355.06 | J/mol×K | 621.02 | Joback Calculated Property |
| Cp,gas | 365.51 | J/mol×K | 652.46 | Joback Calculated Property |
| Cp,gas | 375.47 | J/mol×K | 683.89 | Joback Calculated Property |
| η | [0.0002346; 0.0061890] | Pa×s | [252.00; 495.28] |
|
| η | 0.0061890 | Pa×s | 252.00 | Joback Calculated Property |
| η | 0.0024580 | Pa×s | 292.55 | Joback Calculated Property |
| η | 0.0012223 | Pa×s | 333.09 | Joback Calculated Property |
| η | 0.0007073 | Pa×s | 373.64 | Joback Calculated Property |
| η | 0.0004556 | Pa×s | 414.19 | Joback Calculated Property |
| η | 0.0003174 | Pa×s | 454.73 | Joback Calculated Property |
| η | 0.0002346 | Pa×s | 495.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 3-chloro, 2-methylpropyl ester.
Sources
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