- InChI
- InChI=1S/C9H17ClO2/c1-3-5-8(2)12-9(11)6-4-7-10/h8H,3-7H2,1-2H3
- InChI Key
- IYOPZDQEJWNAAM-UHFFFAOYSA-N
- Formula
- C9H17ClO2
- SMILES
- CCCC(C)OC(=O)CCCCl
- Molecular Weight1
- 192.68
- Other Names
-
- Butanoic acid, 4-chloro, 1-methylbutyl 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° | -223.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -494.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.78 | 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 | 2345.09 | kPa | Joback Calculated Property |
| Inp | [1216.00; 1249.00] |
|
|
| Inp | 1220.00 | NIST | |
| Inp | 1216.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1229.00 | NIST | |
| Inp | 1224.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Inp | 1220.00 | NIST | |
| I | [1615.00; 1644.00] |
|
|
| I | 1628.00 | NIST | |
| I | 1644.00 | NIST | |
| I | 1615.00 | NIST | |
| I | 1619.00 | NIST | |
| Tboil | 518.60 | K | Joback Calculated Property |
| Tc | 701.32 | K | Joback Calculated Property |
| Tfus | 278.27 | K | Joback Calculated Property |
| Vc | 0.607 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [352.38; 423.11] | J/mol×K | [518.60; 701.32] |
|
| Cp,gas | 352.38 | J/mol×K | 518.60 | Joback Calculated Property |
| Cp,gas | 365.50 | J/mol×K | 549.05 | Joback Calculated Property |
| Cp,gas | 378.08 | J/mol×K | 579.51 | Joback Calculated Property |
| Cp,gas | 390.13 | J/mol×K | 609.96 | Joback Calculated Property |
| Cp,gas | 401.64 | J/mol×K | 640.41 | Joback Calculated Property |
| Cp,gas | 412.64 | J/mol×K | 670.86 | Joback Calculated Property |
| Cp,gas | 423.11 | J/mol×K | 701.32 | Joback Calculated Property |
| η | [0.0002269; 0.0040831] | Pa×s | [278.27; 518.60] |
|
| η | 0.0040831 | Pa×s | 278.27 | Joback Calculated Property |
| η | 0.0018630 | Pa×s | 318.32 | Joback Calculated Property |
| η | 0.0010130 | Pa×s | 358.38 | Joback Calculated Property |
| η | 0.0006226 | Pa×s | 398.44 | Joback Calculated Property |
| η | 0.0004182 | Pa×s | 438.49 | Joback Calculated Property |
| η | 0.0003003 | Pa×s | 478.55 | Joback Calculated Property |
| η | 0.0002269 | Pa×s | 518.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobutyric acid, 2-pentyl ester.
Sources
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