- InChI
- InChI=1S/C11H13ClO2/c1-8(2)7-14-11(13)9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3
- InChI Key
- DLJDIYXFPGOEBR-UHFFFAOYSA-N
- Formula
- C11H13ClO2
- SMILES
- CC(C)COC(=O)c1cccc(Cl)c1
- Molecular Weight1
- 212.67
- Other Names
-
- Benzoic acid, 3-chloro, isobutyl 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° | -103.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -311.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.17 | kJ/mol | Joback Calculated Property |
| log10WS | -3.41 | Crippen Calculated Property | |
| logPoct/wat | 3.153 | Crippen Calculated Property | |
| McVol | 161.770 | ml/mol | McGowan Calculated Property |
| Pc | 2654.29 | kPa | Joback Calculated Property |
| Inp | [1462.00; 1500.00] |
|
|
| Inp | 1500.00 | NIST | |
| Inp | 1466.00 | NIST | |
| Inp | 1475.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1477.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Inp | 1471.00 | NIST | |
| I | [1969.00; 2004.00] |
|
|
| I | 1969.00 | NIST | |
| I | 1969.00 | NIST | |
| I | 1988.00 | NIST | |
| I | 2003.00 | NIST | |
| I | 2004.00 | NIST | |
| I | 1969.00 | NIST | |
| I | 1989.00 | NIST | |
| Tboil | 596.02 | K | Joback Calculated Property |
| Tc | 814.94 | K | Joback Calculated Property |
| Tfus | 339.75 | K | Joback Calculated Property |
| Vc | 0.611 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [373.26; 443.15] | J/mol×K | [596.02; 814.94] |
|
| Cp,gas | 373.26 | J/mol×K | 596.02 | Joback Calculated Property |
| Cp,gas | 386.90 | J/mol×K | 632.51 | Joback Calculated Property |
| Cp,gas | 399.73 | J/mol×K | 668.99 | Joback Calculated Property |
| Cp,gas | 411.74 | J/mol×K | 705.48 | Joback Calculated Property |
| Cp,gas | 422.97 | J/mol×K | 741.97 | Joback Calculated Property |
| Cp,gas | 433.43 | J/mol×K | 778.45 | Joback Calculated Property |
| Cp,gas | 443.15 | J/mol×K | 814.94 | Joback Calculated Property |
| η | [0.0001789; 0.0019955] | Pa×s | [339.75; 596.02] |
|
| η | 0.0019955 | Pa×s | 339.75 | Joback Calculated Property |
| η | 0.0010666 | Pa×s | 382.46 | Joback Calculated Property |
| η | 0.0006465 | Pa×s | 425.17 | Joback Calculated Property |
| η | 0.0004294 | Pa×s | 467.88 | Joback Calculated Property |
| η | 0.0003054 | Pa×s | 510.60 | Joback Calculated Property |
| η | 0.0002290 | Pa×s | 553.31 | Joback Calculated Property |
| η | 0.0001789 | Pa×s | 596.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyl 3-chlorobenzoate.
Sources
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