- InChI
- InChI=1S/C11H12O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h2-8H,9H2,1H3/b3-2+
- InChI Key
- QYOVCBKZFRCMCG-NSCUHMNNSA-N
- Formula
- C11H12O2
- SMILES
- CC=CCOC(=O)c1ccccc1
- Molecular Weight1
- 176.21
- 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° | 0.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -161.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.47 | kJ/mol | Joback Calculated Property |
| log10WS | -2.82 | Crippen Calculated Property | |
| logPoct/wat | 2.420 | Crippen Calculated Property | |
| McVol | 145.230 | ml/mol | McGowan Calculated Property |
| Pc | 2937.70 | kPa | Joback Calculated Property |
| Inp | [1359.00; 1381.00] |
|
|
| Inp | 1375.00 | NIST | |
| Inp | 1359.00 | NIST | |
| Inp | 1381.00 | NIST | |
| Inp | 1366.00 | NIST | |
| Inp | 1373.00 | NIST | |
| Inp | 1376.00 | NIST | |
| Inp | 1371.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1369.00 | NIST | |
| Inp | 1364.00 | NIST | |
| Inp | 1364.00 | NIST | |
| Inp | 1371.00 | NIST | |
| I | [1931.00; 1986.00] |
|
|
| I | 1961.00 | NIST | |
| I | 1956.00 | NIST | |
| I | 1973.00 | NIST | |
| I | 1986.00 | NIST | |
| I | 1931.00 | NIST | |
| I | 1981.00 | NIST | |
| I | 1951.00 | NIST | |
| I | 1956.00 | NIST | |
| I | 1956.00 | NIST | |
| I | 1931.00 | NIST | |
| Tboil | 558.21 | K | Joback Calculated Property |
| Tc | 776.95 | K | Joback Calculated Property |
| Tfus | 307.23 | K | Joback Calculated Property |
| Vc | 0.547 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [327.27; 398.33] | J/mol×K | [558.21; 776.95] |
|
| Cp,gas | 327.27 | J/mol×K | 558.21 | Joback Calculated Property |
| Cp,gas | 341.18 | J/mol×K | 594.67 | Joback Calculated Property |
| Cp,gas | 354.22 | J/mol×K | 631.12 | Joback Calculated Property |
| Cp,gas | 366.41 | J/mol×K | 667.58 | Joback Calculated Property |
| Cp,gas | 377.80 | J/mol×K | 704.04 | Joback Calculated Property |
| Cp,gas | 388.43 | J/mol×K | 740.50 | Joback Calculated Property |
| Cp,gas | 398.33 | J/mol×K | 776.95 | Joback Calculated Property |
| η | [0.0001704; 0.0021241] | Pa×s | [307.23; 558.21] |
|
| η | 0.0021241 | Pa×s | 307.23 | Joback Calculated Property |
| η | 0.0010842 | Pa×s | 349.06 | Joback Calculated Property |
| η | 0.0006391 | Pa×s | 390.89 | Joback Calculated Property |
| η | 0.0004172 | Pa×s | 432.72 | Joback Calculated Property |
| η | 0.0002937 | Pa×s | 474.55 | Joback Calculated Property |
| η | 0.0002188 | Pa×s | 516.38 | Joback Calculated Property |
| η | 0.0001704 | Pa×s | 558.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-2-Butenyl benzoate.
Sources
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