- InChI
- InChI=1S/C11H16O/c1-3-9-12-10(2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
- InChI Key
- BHHQDDHLWBEJLT-UHFFFAOYSA-N
- Formula
- C11H16O
- SMILES
- CCCOC(C)c1ccccc1
- Molecular Weight1
- 164.24
- CAS
- 91967-71-4
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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° | 46.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -171.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.70 ± 0.20 | kJ/mol | NIST |
| log10WS | -3.08 | Crippen Calculated Property | |
| logPoct/wat | 3.174 | Crippen Calculated Property | |
| McVol | 147.960 | ml/mol | McGowan Calculated Property |
| Pc | 2624.46 | kPa | Joback Calculated Property |
| Tboil | 499.74 | K | Joback Calculated Property |
| Tc | 704.63 | K | Joback Calculated Property |
| Tfus | 247.38 | K | Joback Calculated Property |
| Vc | 0.555 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [325.73; 410.07] | J/mol×K | [499.74; 704.63] | 
|
| Cp,gas | 325.73 | J/mol×K | 499.74 | Joback Calculated Property |
| Cp,gas | 341.78 | J/mol×K | 533.89 | Joback Calculated Property |
| Cp,gas | 357.01 | J/mol×K | 568.04 | Joback Calculated Property |
| Cp,gas | 371.42 | J/mol×K | 602.19 | Joback Calculated Property |
| Cp,gas | 385.06 | J/mol×K | 636.33 | Joback Calculated Property |
| Cp,gas | 397.93 | J/mol×K | 670.48 | Joback Calculated Property |
| Cp,gas | 410.07 | J/mol×K | 704.63 | Joback Calculated Property |
| η | [0.0001746; 0.0040450] | Pa×s | [247.38; 499.74] |
|
| η | 0.0040450 | Pa×s | 247.38 | Joback Calculated Property |
| η | 0.0016374 | Pa×s | 289.44 | Joback Calculated Property |
| η | 0.0008338 | Pa×s | 331.50 | Joback Calculated Property |
| η | 0.0004943 | Pa×s | 373.56 | Joback Calculated Property |
| η | 0.0003257 | Pa×s | 415.62 | Joback Calculated Property |
| η | 0.0002317 | Pa×s | 457.68 | Joback Calculated Property |
| η | 0.0001746 | Pa×s | 499.74 | Joback Calculated Property |
| ΔvapH | 56.40 ± 0.20 | kJ/mol | 304.50 | NIST |
Similar Compounds
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Sources
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