- InChI
- InChI=1S/C13H20O/c1-9-5-6-10(2)13(12(9)4)8-7-11(3)14/h5-6,11,14H,7-8H2,1-4H3
- InChI Key
- IMXWSBUOJQZJJZ-UHFFFAOYSA-N
- Formula
- C13H20O
- SMILES
- Cc1ccc(C)c(CCC(C)O)c1C
- Molecular Weight1
- 192.30
- CAS
- 66248-70-2
- 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 | 0.6947 | Relay (1.0) Calculated Property | |
| ΔfG° | 2.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -273.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.925 | Crippen Calculated Property | |
| McVol | 176.140 | ml/mol | McGowan Calculated Property |
| Pc | 2311.39 | kPa | Joback Calculated Property |
| Inp | [1500.00; 1500.00] |
|
|
| Inp | 1500.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Tboil | 562.90 | K | Relay (1.0) Calculated Property |
| Tc | 766.22 | K | Relay (1.0) Calculated Property |
| Tfus | 326.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.639 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [456.00; 531.18] | J/mol×K | [630.20; 822.14] |
|
| Cp,gas | 456.00 | J/mol×K | 630.20 | Joback Calculated Property |
| Cp,gas | 470.21 | J/mol×K | 662.19 | Joback Calculated Property |
| Cp,gas | 483.72 | J/mol×K | 694.18 | Joback Calculated Property |
| Cp,gas | 496.55 | J/mol×K | 726.17 | Joback Calculated Property |
| Cp,gas | 508.72 | J/mol×K | 758.16 | Joback Calculated Property |
| Cp,gas | 520.26 | J/mol×K | 790.15 | Joback Calculated Property |
| Cp,gas | 531.18 | J/mol×K | 822.14 | Joback Calculated Property |
| η | [0.0000549; 0.0034190] | Pa×s | [346.07; 630.20] |
|
| η | 0.0034190 | Pa×s | 346.07 | Joback Calculated Property |
| η | 0.0011346 | Pa×s | 393.43 | Joback Calculated Property |
| η | 0.0004772 | Pa×s | 440.78 | Joback Calculated Property |
| η | 0.0002374 | Pa×s | 488.14 | Joback Calculated Property |
| η | 0.0001337 | Pa×s | 535.49 | Joback Calculated Property |
| η | 0.0000826 | Pa×s | 582.85 | Joback Calculated Property |
| η | 0.0000549 | Pa×s | 630.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(2,3,6-Trimethylphenyl)butan-2-ol.
Sources
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