- InChI
- InChI=1S/C11H14O2/c1-9(12)11(13)8-7-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
- InChI Key
- XEVZDIFTSGPTLK-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- CC(O)C(=O)CCc1ccccc1
- Molecular Weight1
- 178.23
- 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° | -114.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -303.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.39 | kJ/mol | Joback Calculated Property |
| log10WS | -2.19 | Crippen Calculated Property | |
| logPoct/wat | 1.569 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Pc | 3156.17 | kPa | Joback Calculated Property |
| Inp | [1485.00; 1485.00] |
|
|
| Inp | 1485.00 | NIST | |
| Inp | 1485.00 | NIST | |
| Tboil | 623.37 | K | Joback Calculated Property |
| Tc | 824.68 | K | Joback Calculated Property |
| Tfus | 335.90 | K | Joback Calculated Property |
| Vc | 0.562 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [376.03; 439.09] | J/mol×K | [623.37; 824.68] |
|
| Cp,gas | 376.03 | J/mol×K | 623.37 | Joback Calculated Property |
| Cp,gas | 388.31 | J/mol×K | 656.92 | Joback Calculated Property |
| Cp,gas | 399.83 | J/mol×K | 690.47 | Joback Calculated Property |
| Cp,gas | 410.64 | J/mol×K | 724.02 | Joback Calculated Property |
| Cp,gas | 420.77 | J/mol×K | 757.57 | Joback Calculated Property |
| Cp,gas | 430.24 | J/mol×K | 791.13 | Joback Calculated Property |
| Cp,gas | 439.09 | J/mol×K | 824.68 | Joback Calculated Property |
| η | [0.0000729; 0.0075832] | Pa×s | [335.90; 623.37] |
|
| η | 0.0075832 | Pa×s | 335.90 | Joback Calculated Property |
| η | 0.0021568 | Pa×s | 383.81 | Joback Calculated Property |
| η | 0.0008109 | Pa×s | 431.72 | Joback Calculated Property |
| η | 0.0003707 | Pa×s | 479.63 | Joback Calculated Property |
| η | 0.0001953 | Pa×s | 527.55 | Joback Calculated Property |
| η | 0.0001145 | Pa×s | 575.46 | Joback Calculated Property |
| η | 0.0000729 | Pa×s | 623.37 | Joback Calculated Property |
Similar Compounds
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Sources
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