- InChI
- InChI=1S/C11H11ClO2/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h2-7H,8H2,1H3/b3-2+
- InChI Key
- IAMFGULVWXDMPH-NSCUHMNNSA-N
- Formula
- C11H11ClO2
- SMILES
- CC=CCOC(=O)c1ccc(Cl)cc1
- Molecular Weight1
- 210.66
- 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° | -21.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -188.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.52 | kJ/mol | Joback Calculated Property |
| log10WS | -3.51 | Crippen Calculated Property | |
| logPoct/wat | 3.073 | Crippen Calculated Property | |
| McVol | 157.470 | ml/mol | McGowan Calculated Property |
| Pc | 2778.85 | kPa | Joback Calculated Property |
| Inp | [1522.00; 1539.00] |
|
|
| Inp | 1522.00 | NIST | |
| Inp | 1532.00 | NIST | |
| Inp | 1539.00 | NIST | |
| Inp | 1534.00 | NIST | |
| Inp | 1522.00 | NIST | |
| Inp | 1531.00 | NIST | |
| Inp | 1522.00 | NIST | |
| I | [2131.00; 2178.00] |
|
|
| I | 2131.00 | NIST | |
| I | 2150.00 | NIST | |
| I | 2168.00 | NIST | |
| I | 2178.00 | NIST | |
| I | 2143.00 | NIST | |
| I | 2152.00 | NIST | |
| I | 2131.00 | NIST | |
| Tboil | 600.62 | K | Joback Calculated Property |
| Tc | 824.35 | K | Joback Calculated Property |
| Tfus | 349.67 | K | Joback Calculated Property |
| Vc | 0.597 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [352.29; 416.70] | J/mol×K | [600.62; 824.35] |
|
| Cp,gas | 352.29 | J/mol×K | 600.62 | Joback Calculated Property |
| Cp,gas | 364.97 | J/mol×K | 637.91 | Joback Calculated Property |
| Cp,gas | 376.83 | J/mol×K | 675.20 | Joback Calculated Property |
| Cp,gas | 387.90 | J/mol×K | 712.49 | Joback Calculated Property |
| Cp,gas | 398.21 | J/mol×K | 749.77 | Joback Calculated Property |
| Cp,gas | 407.80 | J/mol×K | 787.06 | Joback Calculated Property |
| Cp,gas | 416.70 | J/mol×K | 824.35 | Joback Calculated Property |
| η | [0.0001637; 0.0014831] | Pa×s | [349.67; 600.62] |
|
| η | 0.0014831 | Pa×s | 349.67 | Joback Calculated Property |
| η | 0.0008442 | Pa×s | 391.50 | Joback Calculated Property |
| η | 0.0005358 | Pa×s | 433.32 | Joback Calculated Property |
| η | 0.0003684 | Pa×s | 475.14 | Joback Calculated Property |
| η | 0.0002691 | Pa×s | 516.97 | Joback Calculated Property |
| η | 0.0002060 | Pa×s | 558.79 | Joback Calculated Property |
| η | 0.0001637 | Pa×s | 600.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-chloro, (E)-2-butenyl ester.
Sources
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