- InChI
- InChI=1S/C15H24O3/c1-14(2,3)11-7-10(9-18-17)13(16)12(8-11)15(4,5)6/h7-8,16-17H,9H2,1-6H3
- InChI Key
- KXSKHOFQSDTQAV-UHFFFAOYSA-N
- Formula
- C15H24O3
- SMILES
-
CC(C)(C)c1cc(COO)c(O)c(C(C)(C)
C)c1 - Molecular Weight1
- 252.35
- 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 | 0.8283 | Relay (... Calculated Property | |
| ΔfG° | -324.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -412.64 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 28.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.90 | kJ/mol | Relay (... Calculated Property |
| IE | 7.91 | eV | Relay (... Calculated Property |
| log10WS | -3.85 | Relay (... Calculated Property | |
| logPoct/wat | 3.977 | Crippen Calculated Property | |
| McVol | 216.060 | ml/mol | McGowan Calculated Property |
| Pc | 2173.43 | kPa | Joback Calculated Property |
| Inp | 1744.00 | NIST | |
| Tboil | 571.48 | K | Relay (... Calculated Property |
| Tc | 843.88 | K | Relay (... Calculated Property |
| Tfus | 375.76 | K | Relay (... Calculated Property |
| Vc | 0.792 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [638.42; 714.78] | J/mol×K | [798.91; 1032.68] | 
|
| Cp,gas | 638.42 | J/mol×K | 798.91 | Joback Calculated Property |
| Cp,gas | 652.40 | J/mol×K | 837.87 | Joback Calculated Property |
| Cp,gas | 665.68 | J/mol×K | 876.83 | Joback Calculated Property |
| Cp,gas | 678.39 | J/mol×K | 915.80 | Joback Calculated Property |
| Cp,gas | 690.71 | J/mol×K | 954.76 | Joback Calculated Property |
| Cp,gas | 702.79 | J/mol×K | 993.72 | Joback Calculated Property |
| Cp,gas | 714.78 | J/mol×K | 1032.68 | Joback Calculated Property |
| η | [0.0000048; 0.0000555] | Pa×s | [587.43; 798.91] |
|
| η | 0.0000555 | Pa×s | 587.43 | Joback Calculated Property |
| η | 0.0000330 | Pa×s | 622.68 | Joback Calculated Property |
| η | 0.0000207 | Pa×s | 657.92 | Joback Calculated Property |
| η | 0.0000136 | Pa×s | 693.17 | Joback Calculated Property |
| η | 0.0000093 | Pa×s | 728.42 | Joback Calculated Property |
| η | 0.0000066 | Pa×s | 763.66 | Joback Calculated Property |
| η | 0.0000048 | Pa×s | 798.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-tert-butyl-6-hydroperoxymethyl-phenol.
Sources
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