- InChI
- InChI=1S/C16H24O2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,17,18)
- InChI Key
- ULVHAZFBJJXIDO-UHFFFAOYSA-N
- Formula
- C16H24O2
- SMILES
-
CC(C)c1cc(C(C)C)c(C(=O)O)c(C(C
)C)c1 - Molecular Weight1
- 248.36
- CAS
- 49623-71-4
- Other Names
-
- Benzoic acid, 2,4,6-tris(1-methylethyl)-
- 2,4,6-tris(1-methylethyl)benzoic 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).
- 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° | -105.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -452.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.73 | kJ/mol | Joback Calculated Property |
| log10WS | -5.09 | Crippen Calculated Property | |
| logPoct/wat | 4.755 | Crippen Calculated Property | |
| McVol | 219.980 | ml/mol | McGowan Calculated Property |
| Pc | 1908.57 | kPa | Joback Calculated Property |
| Tboil | 751.83 | K | Joback Calculated Property |
| Tc | 951.40 | K | Joback Calculated Property |
| Tfus | 399.81 | K | Joback Calculated Property |
| Vc | 0.831 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [635.37; 711.98] | J/mol×K | [751.83; 951.40] | 
|
| Cp,gas | 635.37 | J/mol×K | 751.83 | Joback Calculated Property |
| Cp,gas | 650.22 | J/mol×K | 785.09 | Joback Calculated Property |
| Cp,gas | 664.20 | J/mol×K | 818.35 | Joback Calculated Property |
| Cp,gas | 677.34 | J/mol×K | 851.61 | Joback Calculated Property |
| Cp,gas | 689.66 | J/mol×K | 884.88 | Joback Calculated Property |
| Cp,gas | 701.20 | J/mol×K | 918.14 | Joback Calculated Property |
| Cp,gas | 711.98 | J/mol×K | 951.40 | Joback Calculated Property |
| η | [0.0000254; 0.0021146] | Pa×s | [399.81; 751.83] |
|
| η | 0.0021146 | Pa×s | 399.81 | Joback Calculated Property |
| η | 0.0006315 | Pa×s | 458.48 | Joback Calculated Property |
| η | 0.0002481 | Pa×s | 517.15 | Joback Calculated Property |
| η | 0.0001179 | Pa×s | 575.82 | Joback Calculated Property |
| η | 0.0000643 | Pa×s | 634.49 | Joback Calculated Property |
| η | 0.0000389 | Pa×s | 693.16 | Joback Calculated Property |
| η | 0.0000254 | Pa×s | 751.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Triisopropylbenzoic acid.
Sources
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