- InChI
- InChI=1S/C11H14O/c1-2-10(9-12)8-11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3
- InChI Key
- ROPNSYBZOVTZBB-UHFFFAOYSA-N
- Formula
- C11H14O
- SMILES
- CCC(C=O)Cc1ccccc1
- Molecular Weight1
- 162.23
- 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).
- 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° | 52.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -124.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.69 | kJ/mol | Joback Calculated Property |
| log10WS | -2.57 | Crippen Calculated Property | |
| logPoct/wat | 2.454 | Crippen Calculated Property | |
| McVol | 143.660 | ml/mol | McGowan Calculated Property |
| Pc | 2887.40 | kPa | Joback Calculated Property |
| I | 1949.00 | NIST | |
| Tboil | 525.98 | K | Joback Calculated Property |
| Tc | 736.91 | K | Joback Calculated Property |
| Tfus | 267.15 | K | Joback Calculated Property |
| Vc | 0.554 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [322.76; 399.16] | J/mol×K | [525.98; 736.91] | 
|
| Cp,gas | 322.76 | J/mol×K | 525.98 | Joback Calculated Property |
| Cp,gas | 337.60 | J/mol×K | 561.13 | Joback Calculated Property |
| Cp,gas | 351.55 | J/mol×K | 596.29 | Joback Calculated Property |
| Cp,gas | 364.65 | J/mol×K | 631.44 | Joback Calculated Property |
| Cp,gas | 376.92 | J/mol×K | 666.60 | Joback Calculated Property |
| Cp,gas | 388.41 | J/mol×K | 701.75 | Joback Calculated Property |
| Cp,gas | 399.16 | J/mol×K | 736.91 | Joback Calculated Property |
| η | [0.0002503; 0.0048580] | Pa×s | [267.15; 525.98] |
|
| η | 0.0048580 | Pa×s | 267.15 | Joback Calculated Property |
| η | 0.0021017 | Pa×s | 310.29 | Joback Calculated Property |
| η | 0.0011156 | Pa×s | 353.43 | Joback Calculated Property |
| η | 0.0006797 | Pa×s | 396.56 | Joback Calculated Property |
| η | 0.0004563 | Pa×s | 439.70 | Joback Calculated Property |
| η | 0.0003290 | Pa×s | 482.84 | Joback Calculated Property |
| η | 0.0002503 | Pa×s | 525.98 | Joback Calculated Property |
Similar Compounds
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Sources
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