- InChI
- InChI=1S/C13H20O/c1-11-5-7-12(8-6-11)9-14-10-13(2,3)4/h5-8H,9-10H2,1-4H3
- InChI Key
- WQRWEGDDRIBSTK-UHFFFAOYSA-N
- Formula
- C13H20O
- SMILES
- Cc1ccc(COCC(C)(C)C)cc1
- Molecular Weight1
- 192.30
- 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 | 0.5135 | Relay (... Calculated Property | |
| ΔfG° | 59.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -233.25 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 16.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.00 | kJ/mol | Relay (... Calculated Property |
| IE | 8.42 | eV | Relay (... Calculated Property |
| log10WS | -3.91 | Relay (... Calculated Property | |
| logPoct/wat | 3.558 | Crippen Calculated Property | |
| McVol | 176.140 | ml/mol | McGowan Calculated Property |
| Pc | 2167.36 | kPa | Joback Calculated Property |
| Inp | 1337.00 | NIST | |
| Tboil | 506.31 | K | Relay (... Calculated Property |
| Tc | 720.19 | K | Relay (... Calculated Property |
| Tfus | 294.68 | K | Relay (... Calculated Property |
| Vc | 0.644 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [423.50; 516.46] | J/mol×K | [547.69; 755.69] | 
|
| Cp,gas | 423.50 | J/mol×K | 547.69 | Joback Calculated Property |
| Cp,gas | 441.42 | J/mol×K | 582.36 | Joback Calculated Property |
| Cp,gas | 458.32 | J/mol×K | 617.02 | Joback Calculated Property |
| Cp,gas | 474.24 | J/mol×K | 651.69 | Joback Calculated Property |
| Cp,gas | 489.20 | J/mol×K | 686.36 | Joback Calculated Property |
| Cp,gas | 503.27 | J/mol×K | 721.02 | Joback Calculated Property |
| Cp,gas | 516.46 | J/mol×K | 755.69 | Joback Calculated Property |
| η | [0.0001436; 0.0024476] | Pa×s | [299.86; 547.69] |
|
| η | 0.0024476 | Pa×s | 299.86 | Joback Calculated Property |
| η | 0.0011461 | Pa×s | 341.17 | Joback Calculated Property |
| η | 0.0006322 | Pa×s | 382.47 | Joback Calculated Property |
| η | 0.0003916 | Pa×s | 423.78 | Joback Calculated Property |
| η | 0.0002641 | Pa×s | 465.08 | Joback Calculated Property |
| η | 0.0001900 | Pa×s | 506.39 | Joback Calculated Property |
| η | 0.0001436 | Pa×s | 547.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (4-Methylphenyl) methanol, neopentyl ether.
Sources
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