- InChI
- InChI=1S/C18H22O/c1-4-13(2)16-10-11-18(19)17(12-16)14(3)15-8-6-5-7-9-15/h5-14,19H,4H2,1-3H3
- InChI Key
- QJNBIFRUSFIANU-UHFFFAOYSA-N
- Formula
- C18H22O
- SMILES
-
CCC(C)c1ccc(O)c(C(C)c2ccccc2)c
1 - Molecular Weight1
- 254.37
- CAS
- 2622-83-5
- Other Names
-
- 4-(1-methylpropyl)-2-(1-phenylethyl)phenol
- 4-Sec-butyl-2-(a-methylbenzyl)phenol
- 4-sec-Butyl-2-(«alpha»-methylbenzyl)alcohol
- Phenol, 4-(1-methylpropyl)-2-(1-phenylethyl)-
- Phenol, 4-sec-butyl-2-(«alpha»-methylbenzyl)-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6483 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -135.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.81 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.058 | Crippen Calculated Property | |
| McVol | 222.830 | ml/mol | McGowan Calculated Property |
| Pc | 2195.89 | kPa | Joback Calculated Property |
| Tboil | 598.04 | K | Relay (1.0) Calculated Property |
| Tc | 876.16 | K | Relay (1.0) Calculated Property |
| Tfus | 350.10 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [637.51; 727.62] | J/mol×K | [749.52; 988.31] | 
|
| Cp,gas | 637.51 | J/mol×K | 749.52 | Joback Calculated Property |
| Cp,gas | 654.91 | J/mol×K | 789.32 | Joback Calculated Property |
| Cp,gas | 671.17 | J/mol×K | 829.12 | Joback Calculated Property |
| Cp,gas | 686.44 | J/mol×K | 868.91 | Joback Calculated Property |
| Cp,gas | 700.85 | J/mol×K | 908.71 | Joback Calculated Property |
| Cp,gas | 714.53 | J/mol×K | 948.51 | Joback Calculated Property |
| Cp,gas | 727.62 | J/mol×K | 988.31 | Joback Calculated Property |
| η | [0.0000077; 0.0005848] | Pa×s | [439.70; 749.52] |
|
| η | 0.0005848 | Pa×s | 439.70 | Joback Calculated Property |
| η | 0.0001943 | Pa×s | 491.34 | Joback Calculated Property |
| η | 0.0000796 | Pa×s | 542.97 | Joback Calculated Property |
| η | 0.0000381 | Pa×s | 594.61 | Joback Calculated Property |
| η | 0.0000205 | Pa×s | 646.25 | Joback Calculated Property |
| η | 0.0000121 | Pa×s | 697.88 | Joback Calculated Property |
| η | 0.0000077 | Pa×s | 749.52 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 450.00 ± 3.00 | K | 0.30 | NIST |
Similar Compounds
Find more compounds similar to 4-sec-Butyl-2-(«alpha»-methylbenzyl)phenol.
Sources
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