- InChI
- InChI=1S/C16H18O/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12,16-17H,7,10,13H2
- InChI Key
- CAGIBUJGQRHYEW-UHFFFAOYSA-N
- Formula
- C16H18O
- SMILES
- OC(CCCc1ccccc1)c1ccccc1
- Molecular Weight1
- 226.31
- CAS
- 30078-89-8
- 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).
- 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 | 0.7130 | Relay (1.0) Calculated Property | |
| ΔfG° | 169.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -64.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 ± 0.10 | eV | NIST |
| log10WS | -3.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.743 | Crippen Calculated Property | |
| McVol | 194.650 | ml/mol | McGowan Calculated Property |
| Pc | 2520.12 | kPa | Joback Calculated Property |
| Tboil | 598.92 | K | Relay (1.0) Calculated Property |
| Tc | 865.26 | K | Relay (1.0) Calculated Property |
| Tfus | 348.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.718 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [533.22; 608.34] | J/mol×K | [710.78; 927.53] | 
|
| Cp,gas | 533.22 | J/mol×K | 710.78 | Joback Calculated Property |
| Cp,gas | 548.16 | J/mol×K | 746.90 | Joback Calculated Property |
| Cp,gas | 562.05 | J/mol×K | 783.03 | Joback Calculated Property |
| Cp,gas | 574.94 | J/mol×K | 819.15 | Joback Calculated Property |
| Cp,gas | 586.91 | J/mol×K | 855.28 | Joback Calculated Property |
| Cp,gas | 598.02 | J/mol×K | 891.40 | Joback Calculated Property |
| Cp,gas | 608.34 | J/mol×K | 927.53 | Joback Calculated Property |
| η | [0.0000330; 0.0038173] | Pa×s | [368.74; 710.78] |
|
| η | 0.0038173 | Pa×s | 368.74 | Joback Calculated Property |
| η | 0.0010175 | Pa×s | 425.75 | Joback Calculated Property |
| η | 0.0003706 | Pa×s | 482.75 | Joback Calculated Property |
| η | 0.0001671 | Pa×s | 539.76 | Joback Calculated Property |
| η | 0.0000877 | Pa×s | 596.77 | Joback Calculated Property |
| η | 0.0000515 | Pa×s | 653.77 | Joback Calculated Property |
| η | 0.0000330 | Pa×s | 710.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenebutanol, «alpha»-phenyl-.
Sources
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