- InChI
- InChI=1S/C11H14O3/c1-11(2,3)7-4-5-9(12)8(6-7)10(13)14/h4-6,12H,1-3H3,(H,13,14)
- InChI Key
- XAICWTLLSRXZPB-UHFFFAOYSA-N
- Formula
- C11H14O3
- SMILES
- CC(C)(C)c1ccc(O)c(C(=O)O)c1
- Molecular Weight1
- 194.23
- CAS
- 16094-31-8
- Other Names
-
- 5-(1,1-dimethylethyl)salicylic 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° | -273.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -496.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.16 | kJ/mol | Joback Calculated Property |
| log10WS | -2.39 | Crippen Calculated Property | |
| logPoct/wat | 2.388 | Crippen Calculated Property | |
| McVol | 155.400 | ml/mol | McGowan Calculated Property |
| Pc | 3740.80 | kPa | Joback Calculated Property |
| Tboil | 706.18 | K | Joback Calculated Property |
| Tc | 924.38 | K | Joback Calculated Property |
| Tfus | 477.56 | K | Joback Calculated Property |
| Vc | 0.523 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [424.54; 480.23] | J/mol×K | [706.18; 924.38] | 
|
| Cp,gas | 424.54 | J/mol×K | 706.18 | Joback Calculated Property |
| Cp,gas | 435.17 | J/mol×K | 742.55 | Joback Calculated Property |
| Cp,gas | 445.14 | J/mol×K | 778.91 | Joback Calculated Property |
| Cp,gas | 454.54 | J/mol×K | 815.28 | Joback Calculated Property |
| Cp,gas | 463.45 | J/mol×K | 851.64 | Joback Calculated Property |
| Cp,gas | 471.99 | J/mol×K | 888.01 | Joback Calculated Property |
| Cp,gas | 480.23 | J/mol×K | 924.38 | Joback Calculated Property |
| η | [0.0000045; 0.0002717] | Pa×s | [477.56; 706.18] |
|
| η | 0.0002717 | Pa×s | 477.56 | Joback Calculated Property |
| η | 0.0001066 | Pa×s | 515.66 | Joback Calculated Property |
| η | 0.0000476 | Pa×s | 553.77 | Joback Calculated Property |
| η | 0.0000235 | Pa×s | 591.87 | Joback Calculated Property |
| η | 0.0000127 | Pa×s | 629.97 | Joback Calculated Property |
| η | 0.0000073 | Pa×s | 668.08 | Joback Calculated Property |
| η | 0.0000045 | Pa×s | 706.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 5-(1,1-dimethylethyl)-2-hydroxy-.
Sources
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