- InChI
- InChI=1S/C12H23ClO2/c1-3-4-5-6-7-8-9-15-12(14)10-11(2)13/h11H,3-10H2,1-2H3
- InChI Key
- KGTJTJMGWKRVOB-UHFFFAOYSA-N
- Formula
- C12H23ClO2
- SMILES
- CCCCCCCCOC(=O)CC(C)Cl
- Molecular Weight1
- 234.76
- Other Names
-
- Butanoic acid, 3-chloro, octyl 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.
- 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° | -198.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -556.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.46 | kJ/mol | Joback Calculated Property |
| log10WS | -3.97 | Crippen Calculated Property | |
| logPoct/wat | 3.907 | Crippen Calculated Property | |
| McVol | 199.620 | ml/mol | McGowan Calculated Property |
| Pc | 1806.16 | kPa | Joback Calculated Property |
| Inp | [1528.00; 1547.00] |
|
|
| Inp | 1547.00 | NIST | |
| Inp | 1528.00 | NIST | |
| Inp | 1529.00 | NIST | |
| Inp | 1531.00 | NIST | |
| Inp | 1538.00 | NIST | |
| Inp | 1531.00 | NIST | |
| Inp | 1547.00 | NIST | |
| Inp | 1531.00 | NIST | |
| Tboil | 587.24 | K | Joback Calculated Property |
| Tc | 764.85 | K | Joback Calculated Property |
| Tfus | 312.08 | K | Joback Calculated Property |
| Vc | 0.774 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [496.78; 579.10] | J/mol×K | [587.24; 764.85] |
|
| Cp,gas | 496.78 | J/mol×K | 587.24 | Joback Calculated Property |
| Cp,gas | 512.13 | J/mol×K | 616.84 | Joback Calculated Property |
| Cp,gas | 526.82 | J/mol×K | 646.44 | Joback Calculated Property |
| Cp,gas | 540.84 | J/mol×K | 676.04 | Joback Calculated Property |
| Cp,gas | 554.22 | J/mol×K | 705.64 | Joback Calculated Property |
| Cp,gas | 566.97 | J/mol×K | 735.25 | Joback Calculated Property |
| Cp,gas | 579.10 | J/mol×K | 764.85 | Joback Calculated Property |
| η | [0.0001665; 0.0034450] | Pa×s | [312.08; 587.24] |
|
| η | 0.0034450 | Pa×s | 312.08 | Joback Calculated Property |
| η | 0.0015046 | Pa×s | 357.94 | Joback Calculated Property |
| η | 0.0007932 | Pa×s | 403.80 | Joback Calculated Property |
| η | 0.0004765 | Pa×s | 449.66 | Joback Calculated Property |
| η | 0.0003146 | Pa×s | 495.52 | Joback Calculated Property |
| η | 0.0002228 | Pa×s | 541.38 | Joback Calculated Property |
| η | 0.0001665 | Pa×s | 587.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octyl 3-chlorobutanoate.
Sources
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