- InChI
- InChI=1S/C13H20O/c1-8(2)11-7-12(9(3)4)13(14)6-10(11)5/h6-9,14H,1-5H3
- InChI Key
- NNSNIMZGXLISCO-UHFFFAOYSA-N
- Formula
- C13H20O
- SMILES
- Cc1cc(O)c(C(C)C)cc1C(C)C
- Molecular Weight1
- 192.30
- CAS
- 40625-96-5
- Other Names
-
- Phenol, 5-methyl-2,4-diisopropyl
- 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° | -7.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -285.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.37 | kJ/mol | Joback Calculated Property |
| log10WS | -3.87 | Crippen Calculated Property | |
| logPoct/wat | 3.947 | Crippen Calculated Property | |
| McVol | 176.140 | ml/mol | McGowan Calculated Property |
| Pc | 2500.00 | kPa | Joback Calculated Property |
| Inp | [1475.00; 1496.20] |
|
|
| Inp | 1496.20 | NIST | |
| Inp | 1475.00 | NIST | |
| Inp | 1475.00 | NIST | |
| Inp | 1496.20 | NIST | |
| I | 2282.00 | NIST | |
| Tboil | 613.22 | K | Joback Calculated Property |
| Tc | 831.48 | K | Joback Calculated Property |
| Tfus | 369.45 | K | Joback Calculated Property |
| Vc | 0.610 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [454.72; 538.86] | J/mol×K | [613.22; 831.48] |
|
| Cp,gas | 454.72 | J/mol×K | 613.22 | Joback Calculated Property |
| Cp,gas | 470.84 | J/mol×K | 649.60 | Joback Calculated Property |
| Cp,gas | 486.03 | J/mol×K | 685.97 | Joback Calculated Property |
| Cp,gas | 500.35 | J/mol×K | 722.35 | Joback Calculated Property |
| Cp,gas | 513.88 | J/mol×K | 758.72 | Joback Calculated Property |
| Cp,gas | 526.69 | J/mol×K | 795.10 | Joback Calculated Property |
| Cp,gas | 538.86 | J/mol×K | 831.48 | Joback Calculated Property |
| η | [0.0000243; 0.0019088] | Pa×s | [369.45; 613.22] |
|
| η | 0.0019088 | Pa×s | 369.45 | Joback Calculated Property |
| η | 0.0006436 | Pa×s | 410.08 | Joback Calculated Property |
| η | 0.0002640 | Pa×s | 450.71 | Joback Calculated Property |
| η | 0.0001255 | Pa×s | 491.34 | Joback Calculated Property |
| η | 0.0000668 | Pa×s | 531.96 | Joback Calculated Property |
| η | 0.0000389 | Pa×s | 572.59 | Joback Calculated Property |
| η | 0.0000243 | Pa×s | 613.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Methyl-2,4-diisopropylphenol.
Sources
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