- InChI
- InChI=1S/C11H13ClO3/c1-8(2)7-14-11(13)15-10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3
- InChI Key
- RHVHALPDQOPUPP-UHFFFAOYSA-N
- Formula
- C11H13ClO3
- SMILES
- CC(C)COC(=O)Oc1cccc(Cl)c1
- Molecular Weight1
- 228.67
- Other Names
-
- 3-Chlorophenol, isoBOC
- 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° | -208.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -443.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.58 | kJ/mol | Joback Calculated Property |
| log10WS | -3.55 | Crippen Calculated Property | |
| logPoct/wat | 3.511 | Crippen Calculated Property | |
| McVol | 167.640 | ml/mol | McGowan Calculated Property |
| Pc | 2608.40 | kPa | Joback Calculated Property |
| Inp | 1546.00 | NIST | |
| Tboil | 618.44 | K | Joback Calculated Property |
| Tc | 834.71 | K | Joback Calculated Property |
| Tfus | 361.98 | K | Joback Calculated Property |
| Vc | 0.628 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [397.65; 466.32] | J/mol×K | [618.44; 834.71] | 
|
| Cp,gas | 397.65 | J/mol×K | 618.44 | Joback Calculated Property |
| Cp,gas | 411.04 | J/mol×K | 654.48 | Joback Calculated Property |
| Cp,gas | 423.66 | J/mol×K | 690.53 | Joback Calculated Property |
| Cp,gas | 435.49 | J/mol×K | 726.57 | Joback Calculated Property |
| Cp,gas | 446.54 | J/mol×K | 762.62 | Joback Calculated Property |
| Cp,gas | 456.82 | J/mol×K | 798.66 | Joback Calculated Property |
| Cp,gas | 466.32 | J/mol×K | 834.71 | Joback Calculated Property |
| η | [0.0001419; 0.0014480] | Pa×s | [361.98; 618.44] |
|
| η | 0.0014480 | Pa×s | 361.98 | Joback Calculated Property |
| η | 0.0008014 | Pa×s | 404.72 | Joback Calculated Property |
| η | 0.0004966 | Pa×s | 447.47 | Joback Calculated Property |
| η | 0.0003345 | Pa×s | 490.21 | Joback Calculated Property |
| η | 0.0002400 | Pa×s | 532.95 | Joback Calculated Property |
| η | 0.0001810 | Pa×s | 575.70 | Joback Calculated Property |
| η | 0.0001419 | Pa×s | 618.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, 3-chlorophenyl isobutyl ester.
Sources
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