- InChI
- InChI=1S/C15H22O3/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6/h7-8,16H,1-6H3,(H,17,18)
- InChI Key
- YEXOWHQZWLCHHD-UHFFFAOYSA-N
- Formula
- C15H22O3
- SMILES
-
CC(C)(C)c1cc(C(=O)O)cc(C(C)(C)
C)c1O - Molecular Weight1
- 250.33
- CAS
- 1421-49-4
- Other Names
-
- Benzoic acid, 3,5-di-tert-butyl-4-hydroxy-
- 3,5-Di-tert-butyl-4-hydroxybenzoic acid
- 3,5-di-t-Butyl-4-hydroxy benzoic acid
- 3,5-bis-tert-butyl-4-hydroxybenzoic acid
- 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).
- 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° | -246.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -598.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.43 | kJ/mol | Joback Calculated Property |
| log10WS | -3.71 | Crippen Calculated Property | |
| logPoct/wat | 3.685 | Crippen Calculated Property | |
| McVol | 211.760 | ml/mol | McGowan Calculated Property |
| Pc | 2462.92 | kPa | Joback Calculated Property |
| Inp | [1924.70; 1924.70] |
|
|
| Inp | 1924.70 | NIST | |
| Inp | 1924.70 | NIST | |
| Tboil | 799.45 | K | Joback Calculated Property |
| Tc | 1016.79 | K | Joback Calculated Property |
| Tfus | 537.58 | K | Joback Calculated Property |
| Vc | 0.737 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [635.85; 706.71] | J/mol×K | [799.45; 1016.79] |
|
| Cp,gas | 635.85 | J/mol×K | 799.45 | Joback Calculated Property |
| Cp,gas | 648.88 | J/mol×K | 835.67 | Joback Calculated Property |
| Cp,gas | 661.26 | J/mol×K | 871.90 | Joback Calculated Property |
| Cp,gas | 673.11 | J/mol×K | 908.12 | Joback Calculated Property |
| Cp,gas | 684.56 | J/mol×K | 944.34 | Joback Calculated Property |
| Cp,gas | 695.72 | J/mol×K | 980.56 | Joback Calculated Property |
| Cp,gas | 706.71 | J/mol×K | 1016.79 | Joback Calculated Property |
| η | [0.0000013; 0.0000709] | Pa×s | [537.58; 799.45] |
|
| η | 0.0000709 | Pa×s | 537.58 | Joback Calculated Property |
| η | 0.0000282 | Pa×s | 581.23 | Joback Calculated Property |
| η | 0.0000127 | Pa×s | 624.87 | Joback Calculated Property |
| η | 0.0000064 | Pa×s | 668.51 | Joback Calculated Property |
| η | 0.0000035 | Pa×s | 712.16 | Joback Calculated Property |
| η | 0.0000020 | Pa×s | 755.80 | Joback Calculated Property |
| η | 0.0000013 | Pa×s | 799.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-.
Sources
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