- InChI
- InChI=1S/C9H17ClO2/c1-7(2)8(3)12-9(11)5-4-6-10/h7-8H,4-6H2,1-3H3
- InChI Key
- UIZNZCHJGZHQLN-UHFFFAOYSA-N
- Formula
- C9H17ClO2
- SMILES
- CC(C)C(C)OC(=O)CCCCl
- Molecular Weight1
- 192.68
- Other Names
-
- Butanoic acid, 4-chloro, 1,2-dimethylpropyl ester
- 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° | -225.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -500.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.39 | kJ/mol | Joback Calculated Property |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 2.593 | Crippen Calculated Property | |
| McVol | 157.350 | ml/mol | McGowan Calculated Property |
| Pc | 2363.37 | kPa | Joback Calculated Property |
| Inp | [1201.00; 1247.00] |
|
|
| Inp | 1204.00 | NIST | |
| Inp | 1201.00 | NIST | |
| Inp | 1227.00 | NIST | |
| Inp | 1212.00 | NIST | |
| Inp | 1208.00 | NIST | |
| Inp | 1247.00 | NIST | |
| Inp | 1247.00 | NIST | |
| I | [1600.00; 1621.00] |
|
|
| I | 1604.00 | NIST | |
| I | 1621.00 | NIST | |
| I | 1600.00 | NIST | |
| I | 1600.00 | NIST | |
| Tboil | 518.16 | K | Joback Calculated Property |
| Tc | 704.64 | K | Joback Calculated Property |
| Tfus | 263.27 | K | Joback Calculated Property |
| Vc | 0.601 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [352.64; 424.95] | J/mol×K | [518.16; 704.64] |
|
| Cp,gas | 352.64 | J/mol×K | 518.16 | Joback Calculated Property |
| Cp,gas | 366.10 | J/mol×K | 549.24 | Joback Calculated Property |
| Cp,gas | 378.99 | J/mol×K | 580.32 | Joback Calculated Property |
| Cp,gas | 391.31 | J/mol×K | 611.40 | Joback Calculated Property |
| Cp,gas | 403.08 | J/mol×K | 642.48 | Joback Calculated Property |
| Cp,gas | 414.29 | J/mol×K | 673.56 | Joback Calculated Property |
| Cp,gas | 424.95 | J/mol×K | 704.64 | Joback Calculated Property |
| η | [0.0002141; 0.0058815] | Pa×s | [263.27; 518.16] |
|
| η | 0.0058815 | Pa×s | 263.27 | Joback Calculated Property |
| η | 0.0023072 | Pa×s | 305.75 | Joback Calculated Property |
| η | 0.0011372 | Pa×s | 348.23 | Joback Calculated Property |
| η | 0.0006537 | Pa×s | 390.72 | Joback Calculated Property |
| η | 0.0004189 | Pa×s | 433.20 | Joback Calculated Property |
| η | 0.0002907 | Pa×s | 475.68 | Joback Calculated Property |
| η | 0.0002141 | Pa×s | 518.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobutyric acid, 3-methylbutyl-2 ester.
Sources
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