- InChI
- InChI=1S/C11H10O4/c1-8(12)15-10-5-3-2-4-9(10)6-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-6+
- InChI Key
- UXOWQQCLBQBRMQ-VOTSOKGWSA-N
- Formula
- C11H10O4
- SMILES
- CC(=O)Oc1ccccc1C=CC(=O)O
- Molecular Weight1
- 206.19
- CAS
- 55620-18-3
- Other Names
-
- 2-Acetoxycinnamic acid
- O-Acetyl-O-coumaric acid
- Tylmarin
- 2-Propenoic acid, 3-(2-(acetyloxy)phenyl)-
- Cinnamic acid, 2-acetoxy-
- 3-[2-(Acetyloxy)phenyl]-2-propenoic acid
- 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).
- 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° | -274.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -437.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.56 | kJ/mol | Joback Calculated Property |
| log10WS | -2.13 | Crippen Calculated Property | |
| logPoct/wat | 1.710 | Crippen Calculated Property | |
| McVol | 152.670 | ml/mol | McGowan Calculated Property |
| Pc | 3439.94 | kPa | Joback Calculated Property |
| Tboil | 709.24 | K | Joback Calculated Property |
| Tc | 920.04 | K | Joback Calculated Property |
| Tfus | 430.50 | K | Joback Calculated Property |
| Vc | 0.573 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [387.59; 436.63] | J/mol×K | [709.24; 920.04] | 
|
| Cp,gas | 387.59 | J/mol×K | 709.24 | Joback Calculated Property |
| Cp,gas | 397.35 | J/mol×K | 744.37 | Joback Calculated Property |
| Cp,gas | 406.43 | J/mol×K | 779.51 | Joback Calculated Property |
| Cp,gas | 414.87 | J/mol×K | 814.64 | Joback Calculated Property |
| Cp,gas | 422.70 | J/mol×K | 849.77 | Joback Calculated Property |
| Cp,gas | 429.94 | J/mol×K | 884.90 | Joback Calculated Property |
| Cp,gas | 436.63 | J/mol×K | 920.04 | Joback Calculated Property |
| η | [0.0000422; 0.0011697] | Pa×s | [430.50; 709.24] |
|
| η | 0.0011697 | Pa×s | 430.50 | Joback Calculated Property |
| η | 0.0005135 | Pa×s | 476.96 | Joback Calculated Property |
| η | 0.0002609 | Pa×s | 523.41 | Joback Calculated Property |
| η | 0.0001480 | Pa×s | 569.87 | Joback Calculated Property |
| η | 0.0000915 | Pa×s | 616.33 | Joback Calculated Property |
| η | 0.0000605 | Pa×s | 662.78 | Joback Calculated Property |
| η | 0.0000422 | Pa×s | 709.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Acetoxycinnamic acid.
Sources
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