- InChI
- InChI=1S/C13H18O/c1-4-12(14)10-13(2,3)11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3
- InChI Key
- VEZKFOIEZCNFBT-UHFFFAOYSA-N
- Formula
- C13H18O
- SMILES
- CCC(=O)CC(C)(C)c1ccccc1
- Molecular Weight1
- 190.28
- 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° | 44.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -196.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.26 | kJ/mol | Joback Calculated Property |
| log10WS | -3.32 | Crippen Calculated Property | |
| logPoct/wat | 3.333 | Crippen Calculated Property | |
| McVol | 171.840 | ml/mol | McGowan Calculated Property |
| Pc | 2372.59 | kPa | Joback Calculated Property |
| Inp | 1405.00 | NIST | |
| I | 1938.00 | NIST | |
| Tboil | 574.16 | K | Joback Calculated Property |
| Tc | 791.55 | K | Joback Calculated Property |
| Tfus | 315.04 | K | Joback Calculated Property |
| Vc | 0.650 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [420.05; 506.96] | J/mol×K | [574.16; 791.55] | 
|
| Cp,gas | 420.05 | J/mol×K | 574.16 | Joback Calculated Property |
| Cp,gas | 437.22 | J/mol×K | 610.39 | Joback Calculated Property |
| Cp,gas | 453.23 | J/mol×K | 646.62 | Joback Calculated Property |
| Cp,gas | 468.15 | J/mol×K | 682.86 | Joback Calculated Property |
| Cp,gas | 482.03 | J/mol×K | 719.09 | Joback Calculated Property |
| Cp,gas | 494.95 | J/mol×K | 755.32 | Joback Calculated Property |
| Cp,gas | 506.96 | J/mol×K | 791.55 | Joback Calculated Property |
| η | [0.0001895; 0.0035974] | Pa×s | [315.04; 574.16] |
|
| η | 0.0035974 | Pa×s | 315.04 | Joback Calculated Property |
| η | 0.0016388 | Pa×s | 358.23 | Joback Calculated Property |
| η | 0.0008842 | Pa×s | 401.41 | Joback Calculated Property |
| η | 0.0005378 | Pa×s | 444.60 | Joback Calculated Property |
| η | 0.0003572 | Pa×s | 487.79 | Joback Calculated Property |
| η | 0.0002536 | Pa×s | 530.97 | Joback Calculated Property |
| η | 0.0001895 | Pa×s | 574.16 | Joback Calculated Property |
Similar Compounds
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Sources
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