- InChI
- InChI=1S/C15H22O2/c1-14(2,3)11-7-10(9-16)13(17)12(8-11)15(4,5)6/h7-9,17H,1-6H3
- InChI Key
- RRIQVLZDOZPJTH-UHFFFAOYSA-N
- Formula
- C15H22O2
- SMILES
-
CC(C)(C)c1cc(C=O)c(O)c(C(C)(C)
C)c1 - Molecular Weight1
- 234.33
- Other Names
-
- 3,5-di-tert-butyl-2-hydroxybenzaldehyde
- 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).
- 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).
- Psub : Sublimation 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 |
|---|---|---|---|
| ΔfG° | -79.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -419.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.73 | kJ/mol | Joback Calculated Property |
| log10WS | -3.89 | Crippen Calculated Property | |
| logPoct/wat | 3.800 | Crippen Calculated Property | |
| McVol | 205.890 | ml/mol | McGowan Calculated Property |
| Pc | 2276.24 | kPa | Joback Calculated Property |
| Inp | 1800.00 | NIST | |
| Tboil | 702.06 | K | Joback Calculated Property |
| Tc | 930.12 | K | Joback Calculated Property |
| Tfus | 468.83 | K | Joback Calculated Property |
| Vc | 0.729 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [581.56; 663.43] | J/mol×K | [702.06; 930.12] | 
|
| Cp,gas | 581.56 | J/mol×K | 702.06 | Joback Calculated Property |
| Cp,gas | 597.31 | J/mol×K | 740.07 | Joback Calculated Property |
| Cp,gas | 612.03 | J/mol×K | 778.08 | Joback Calculated Property |
| Cp,gas | 625.87 | J/mol×K | 816.09 | Joback Calculated Property |
| Cp,gas | 638.96 | J/mol×K | 854.10 | Joback Calculated Property |
| Cp,gas | 651.43 | J/mol×K | 892.11 | Joback Calculated Property |
| Cp,gas | 663.43 | J/mol×K | 930.12 | Joback Calculated Property |
| η | [0.0000120; 0.0003692] | Pa×s | [468.83; 702.06] |
|
| η | 0.0003692 | Pa×s | 468.83 | Joback Calculated Property |
| η | 0.0001675 | Pa×s | 507.70 | Joback Calculated Property |
| η | 0.0000850 | Pa×s | 546.57 | Joback Calculated Property |
| η | 0.0000472 | Pa×s | 585.44 | Joback Calculated Property |
| η | 0.0000282 | Pa×s | 624.32 | Joback Calculated Property |
| η | 0.0000179 | Pa×s | 663.19 | Joback Calculated Property |
| η | 0.0000120 | Pa×s | 702.06 | Joback Calculated Property |
| Psub | [1.40e-04; 1.10e-03] | kPa | [296.28; 312.20] |
|
| Psub | 1.43e-04 | kPa | 296.28 | Thermod... |
| Psub | 1.40e-04 | kPa | 296.28 | Thermod... |
| Psub | 1.51e-04 | kPa | 296.28 | Thermod... |
| Psub | 1.93e-04 | kPa | 298.16 | Thermod... |
| Psub | 1.80e-04 | kPa | 298.16 | Thermod... |
| Psub | 1.76e-04 | kPa | 298.16 | Thermod... |
| Psub | 2.34e-04 | kPa | 300.17 | Thermod... |
| Psub | 2.48e-04 | kPa | 300.17 | Thermod... |
| Psub | 2.37e-04 | kPa | 300.17 | Thermod... |
| Psub | 3.22e-04 | kPa | 302.18 | Thermod... |
| Psub | 3.04e-04 | kPa | 302.18 | Thermod... |
| Psub | 3.00e-04 | kPa | 302.18 | Thermod... |
| Psub | 4.08e-04 | kPa | 304.15 | Thermod... |
| Psub | 3.78e-04 | kPa | 304.15 | Thermod... |
| Psub | 3.82e-04 | kPa | 304.15 | Thermod... |
| Psub | 5.42e-04 | kPa | 306.37 | Thermod... |
| Psub | 5.14e-04 | kPa | 306.37 | Thermod... |
| Psub | 5.05e-04 | kPa | 306.37 | Thermod... |
| Psub | 6.73e-04 | kPa | 308.18 | Thermod... |
| Psub | 6.31e-04 | kPa | 308.18 | Thermod... |
| Psub | 6.20e-04 | kPa | 308.18 | Thermod... |
| Psub | 8.61e-04 | kPa | 310.17 | Thermod... |
| Psub | 8.12e-04 | kPa | 310.17 | Thermod... |
| Psub | 8.01e-04 | kPa | 310.17 | Thermod... |
| Psub | 1.10e-03 | kPa | 312.20 | Thermod... |
| Psub | 1.03e-03 | kPa | 312.20 | Thermod... |
| Psub | 1.01e-03 | kPa | 312.20 | Thermod... |
Similar Compounds
Find more compounds similar to Benzaldehyde, 2-hydroxy, 3,5-di(t-butyl).
Sources
- Crippen Method
- Crippen Method
- Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
- Joback Method
- McGowan Method
- NIST Webbook
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