- 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
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4413 | Relay (1.0) Calculated Property | |
| ΔfG° | 52.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -117.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.29 | Relay (1.0) 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 | 507.49 | K | Relay (1.0) Calculated Property |
| Tc | 723.56 | K | Relay (1.0) Calculated Property |
| Tfus | 245.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.509 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [322.84; 399.24] | J/mol×K | [526.18; 737.19] | 
|
| Cp,gas | 322.84 | J/mol×K | 526.18 | Joback Calculated Property |
| Cp,gas | 337.69 | J/mol×K | 561.35 | Joback Calculated Property |
| Cp,gas | 351.64 | J/mol×K | 596.52 | Joback Calculated Property |
| Cp,gas | 364.73 | J/mol×K | 631.68 | Joback Calculated Property |
| Cp,gas | 377.01 | J/mol×K | 666.85 | Joback Calculated Property |
| Cp,gas | 388.50 | J/mol×K | 702.02 | Joback Calculated Property |
| Cp,gas | 399.24 | J/mol×K | 737.19 | Joback Calculated Property |
| η | [0.0002500; 0.0048580] | Pa×s | [267.15; 526.18] |
|
| η | 0.0048580 | Pa×s | 267.15 | Joback Calculated Property |
| η | 0.0021005 | Pa×s | 310.32 | Joback Calculated Property |
| η | 0.0011146 | Pa×s | 353.49 | Joback Calculated Property |
| η | 0.0006790 | Pa×s | 396.66 | Joback Calculated Property |
| η | 0.0004558 | Pa×s | 439.84 | Joback Calculated Property |
| η | 0.0003286 | Pa×s | 483.01 | Joback Calculated Property |
| η | 0.0002500 | Pa×s | 526.18 | Joback Calculated Property |
Similar Compounds
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Sources
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