- InChI
- InChI=1S/C11H16O2/c1-9(2)13-8-10-5-4-6-11(7-10)12-3/h4-7,9H,8H2,1-3H3
- InChI Key
- DUXXMMBVXTVISE-UHFFFAOYSA-N
- Formula
- C11H16O2
- SMILES
- COc1cccc(COC(C)C)c1
- Molecular Weight1
- 180.24
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5248 | Relay (1.0) Calculated Property | |
| ΔfG° | -67.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -295.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.620 | Crippen Calculated Property | |
| McVol | 153.830 | ml/mol | McGowan Calculated Property |
| Pc | 2540.49 | kPa | Joback Calculated Property |
| Inp | [1357.00; 1357.00] |
|
|
| Inp | 1357.00 | NIST | |
| Inp | 1357.00 | NIST | |
| Tboil | 495.36 | K | Relay (1.0) Calculated Property |
| Tc | 701.53 | K | Relay (1.0) Calculated Property |
| Tfus | 240.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.566 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [351.61; 433.19] | J/mol×K | [527.14; 731.36] |
|
| Cp,gas | 351.61 | J/mol×K | 527.14 | Joback Calculated Property |
| Cp,gas | 366.95 | J/mol×K | 561.18 | Joback Calculated Property |
| Cp,gas | 381.59 | J/mol×K | 595.21 | Joback Calculated Property |
| Cp,gas | 395.53 | J/mol×K | 629.25 | Joback Calculated Property |
| Cp,gas | 408.78 | J/mol×K | 663.29 | Joback Calculated Property |
| Cp,gas | 421.33 | J/mol×K | 697.32 | Joback Calculated Property |
| Cp,gas | 433.19 | J/mol×K | 731.36 | Joback Calculated Property |
| η | [0.0001395; 0.0019797] | Pa×s | [282.13; 527.14] |
|
| η | 0.0019797 | Pa×s | 282.13 | Joback Calculated Property |
| η | 0.0009620 | Pa×s | 322.96 | Joback Calculated Property |
| η | 0.0005497 | Pa×s | 363.80 | Joback Calculated Property |
| η | 0.0003516 | Pa×s | 404.63 | Joback Calculated Property |
| η | 0.0002442 | Pa×s | 445.47 | Joback Calculated Property |
| η | 0.0001802 | Pa×s | 486.31 | Joback Calculated Property |
| η | 0.0001395 | Pa×s | 527.14 | Joback Calculated Property |
Similar Compounds
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Sources
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