- InChI
- InChI=1S/C16H24O3/c1-15(2,3)11-8-10(14(18)19-7)9-12(13(11)17)16(4,5)6/h8-9,17H,1-7H3
- InChI Key
- UPVYFJALDJUSOV-UHFFFAOYSA-N
- Formula
- C16H24O3
- SMILES
-
COC(=O)c1cc(C(C)(C)C)c(O)c(C(C
)(C)C)c1 - Molecular Weight1
- 264.36
- CAS
- 2511-22-0
- Other Names
-
- Benzoic acid, 3,5-di-tert-butyl-4-hydroxy-, methyl ester
- Methyl 3,5-di-tert-butyl-4-hydroxybenzoate
- 3,5-Di-tert-butyl-4-hydroxybenzoic acid, methyl ester
- Benzoic acid, 4-hydroxy-3,5-di-tert-butyl, methyl ester
- Benzoic acid, 4-hydroxy-3,5-di-tert.-butyl, methyl ester
- methyl 3,5-bis-tert-butyl-4-hydroxybenzoate
- 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° | -205.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -599.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.39 | kJ/mol | Joback Calculated Property |
| log10WS | -3.89 | Crippen Calculated Property | |
| logPoct/wat | 3.774 | Crippen Calculated Property | |
| McVol | 225.850 | ml/mol | McGowan Calculated Property |
| Pc | 2029.06 | kPa | Joback Calculated Property |
| Inp | [1859.30; 1872.00] |
|
|
| Inp | 1859.30 | NIST | |
| Inp | 1872.00 | NIST | |
| Inp | 1872.00 | NIST | |
| Inp | 1859.30 | NIST | |
| Tboil | 752.57 | K | Joback Calculated Property |
| Tc | 978.28 | K | Joback Calculated Property |
| Tfus | 510.26 | K | Joback Calculated Property |
| Vc | 0.791 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [662.31; 746.11] | J/mol×K | [752.57; 978.28] |
|
| Cp,gas | 662.31 | J/mol×K | 752.57 | Joback Calculated Property |
| Cp,gas | 678.30 | J/mol×K | 790.19 | Joback Calculated Property |
| Cp,gas | 693.33 | J/mol×K | 827.81 | Joback Calculated Property |
| Cp,gas | 707.50 | J/mol×K | 865.42 | Joback Calculated Property |
| Cp,gas | 720.95 | J/mol×K | 903.04 | Joback Calculated Property |
| Cp,gas | 733.78 | J/mol×K | 940.66 | Joback Calculated Property |
| Cp,gas | 746.11 | J/mol×K | 978.28 | Joback Calculated Property |
| η | [0.0000058; 0.0001455] | Pa×s | [510.26; 752.57] |
|
| η | 0.0001455 | Pa×s | 510.26 | Joback Calculated Property |
| η | 0.0000698 | Pa×s | 550.64 | Joback Calculated Property |
| η | 0.0000370 | Pa×s | 591.03 | Joback Calculated Property |
| η | 0.0000213 | Pa×s | 631.41 | Joback Calculated Property |
| η | 0.0000131 | Pa×s | 671.80 | Joback Calculated Property |
| η | 0.0000085 | Pa×s | 712.19 | Joback Calculated Property |
| η | 0.0000058 | Pa×s | 752.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester.
Sources
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