- InChI
- InChI=1S/C13H20O2/c1-13(2,3)10-15-9-11-7-5-6-8-12(11)14-4/h5-8H,9-10H2,1-4H3
- InChI Key
- TUBPCWPOXXWECY-UHFFFAOYSA-N
- Formula
- C13H20O2
- SMILES
- COc1ccccc1COCC(C)(C)C
- Molecular Weight1
- 208.30
- 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.
- 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° | -45.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -359.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.99 | kJ/mol | Joback Calculated Property |
| log10WS | -3.41 | Crippen Calculated Property | |
| logPoct/wat | 3.258 | Crippen Calculated Property | |
| McVol | 182.010 | ml/mol | McGowan Calculated Property |
| Pc | 2133.46 | kPa | Joback Calculated Property |
| Inp | [1450.00; 1450.00] |
|
|
| Inp | 1450.00 | NIST | |
| Inp | 1450.00 | NIST | |
| Tboil | 570.11 | K | Joback Calculated Property |
| Tc | 776.01 | K | Joback Calculated Property |
| Tfus | 322.09 | K | Joback Calculated Property |
| Vc | 0.680 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [450.60; 541.51] | J/mol×K | [570.11; 776.01] |
|
| Cp,gas | 450.60 | J/mol×K | 570.11 | Joback Calculated Property |
| Cp,gas | 468.05 | J/mol×K | 604.43 | Joback Calculated Property |
| Cp,gas | 484.54 | J/mol×K | 638.74 | Joback Calculated Property |
| Cp,gas | 500.11 | J/mol×K | 673.06 | Joback Calculated Property |
| Cp,gas | 514.78 | J/mol×K | 707.38 | Joback Calculated Property |
| Cp,gas | 528.57 | J/mol×K | 741.69 | Joback Calculated Property |
| Cp,gas | 541.51 | J/mol×K | 776.01 | Joback Calculated Property |
| η | [0.0001144; 0.0017084] | Pa×s | [322.09; 570.11] |
|
| η | 0.0017084 | Pa×s | 322.09 | Joback Calculated Property |
| η | 0.0008426 | Pa×s | 363.43 | Joback Calculated Property |
| η | 0.0004802 | Pa×s | 404.76 | Joback Calculated Property |
| η | 0.0003037 | Pa×s | 446.10 | Joback Calculated Property |
| η | 0.0002076 | Pa×s | 487.44 | Joback Calculated Property |
| η | 0.0001506 | Pa×s | 528.77 | Joback Calculated Property |
| η | 0.0001144 | Pa×s | 570.11 | Joback Calculated Property |
Similar Compounds
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Sources
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