- InChI
- InChI=1S/C12H13ClO2/c1-9(2)6-7-15-12(14)10-4-3-5-11(13)8-10/h3-5,8H,1,6-7H2,2H3
- InChI Key
- YUDOYCVLABYOMK-UHFFFAOYSA-N
- Formula
- C12H13ClO2
- SMILES
- C=C(C)CCOC(=O)c1cccc(Cl)c1
- Molecular Weight1
- 224.68
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -13.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -210.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.20 | kJ/mol | Joback Calculated Property |
| log10WS | -3.93 | Crippen Calculated Property | |
| logPoct/wat | 3.463 | Crippen Calculated Property | |
| McVol | 171.560 | ml/mol | McGowan Calculated Property |
| Pc | 2505.01 | kPa | Joback Calculated Property |
| Inp | [1622.00; 1622.00] |
|
|
| Inp | 1622.00 | NIST | |
| Inp | 1622.00 | NIST | |
| Tboil | 615.90 | K | Joback Calculated Property |
| Tc | 834.66 | K | Joback Calculated Property |
| Tfus | 350.30 | K | Joback Calculated Property |
| Vc | 0.654 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [399.77; 468.91] | J/mol×K | [615.90; 834.66] |
|
| Cp,gas | 399.77 | J/mol×K | 615.90 | Joback Calculated Property |
| Cp,gas | 413.33 | J/mol×K | 652.36 | Joback Calculated Property |
| Cp,gas | 426.04 | J/mol×K | 688.82 | Joback Calculated Property |
| Cp,gas | 437.92 | J/mol×K | 725.28 | Joback Calculated Property |
| Cp,gas | 449.01 | J/mol×K | 761.74 | Joback Calculated Property |
| Cp,gas | 459.33 | J/mol×K | 798.20 | Joback Calculated Property |
| Cp,gas | 468.91 | J/mol×K | 834.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methylbut-3-enyl 3-chlorobenzoate.
Sources
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