- InChI
- InChI=1S/C14H22O/c1-11(2)9-10-14(3,4)12-5-7-13(15)8-6-12/h5-8,11,15H,9-10H2,1-4H3
- InChI Key
- RNWSQHCPJBUHPH-UHFFFAOYSA-N
- Formula
- C14H22O
- SMILES
- CC(C)CCC(C)(C)c1ccc(O)cc1
- Molecular Weight1
- 206.32
- 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 | 0.6298 | Relay (1.0) Calculated Property | |
| ΔfG° | 25.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -265.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.106 | Crippen Calculated Property | |
| McVol | 190.230 | ml/mol | McGowan Calculated Property |
| Pc | 2367.97 | kPa | Joback Calculated Property |
| Inp | 1519.00 | NIST | |
| Tboil | 569.81 | K | Relay (1.0) Calculated Property |
| Tc | 776.46 | K | Relay (1.0) Calculated Property |
| Tfus | 355.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.656 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [508.87; 598.69] | J/mol×K | [623.35; 844.06] | 
|
| Cp,gas | 508.87 | J/mol×K | 623.35 | Joback Calculated Property |
| Cp,gas | 526.41 | J/mol×K | 660.13 | Joback Calculated Property |
| Cp,gas | 542.77 | J/mol×K | 696.92 | Joback Calculated Property |
| Cp,gas | 558.07 | J/mol×K | 733.70 | Joback Calculated Property |
| Cp,gas | 572.41 | J/mol×K | 770.49 | Joback Calculated Property |
| Cp,gas | 585.91 | J/mol×K | 807.27 | Joback Calculated Property |
| Cp,gas | 598.69 | J/mol×K | 844.06 | Joback Calculated Property |
| η | [0.0000203; 0.0024425] | Pa×s | [373.10; 623.35] |
|
| η | 0.0024425 | Pa×s | 373.10 | Joback Calculated Property |
| η | 0.0007356 | Pa×s | 414.81 | Joback Calculated Property |
| η | 0.0002758 | Pa×s | 456.52 | Joback Calculated Property |
| η | 0.0001219 | Pa×s | 498.22 | Joback Calculated Property |
| η | 0.0000611 | Pa×s | 539.93 | Joback Calculated Property |
| η | 0.0000338 | Pa×s | 581.64 | Joback Calculated Property |
| η | 0.0000203 | Pa×s | 623.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(2,2,4-Trimethylpentyl) phenol.
Sources
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