- InChI
- InChI=1S/C11H14O2/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-8H,1-3H3
- InChI Key
- VWSFZYXXQDKXKQ-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- CC(C)(C)Oc1ccc(C=O)cc1
- Molecular Weight1
- 178.23
- CAS
- 57699-45-3
- Other Names
-
- Benzaldehyde, 4-(1,1-dimethylethoxy)-
- 4-(Tert-butoxy)benzaldehyde
- p-tert-butoxybenzaldehyde
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5088 | Relay (1.0) Calculated Property | |
| ΔfG° | -57.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -304.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.676 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Pc | 2823.32 | kPa | Joback Calculated Property |
| Tboil | 533.75 | K | Relay (1.0) Calculated Property |
| Tc | 735.13 | K | Relay (1.0) Calculated Property |
| Tfus | 326.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.551 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.38; 425.47] | J/mol×K | [550.59; 768.91] | 
|
| Cp,gas | 350.38 | J/mol×K | 550.59 | Joback Calculated Property |
| Cp,gas | 365.11 | J/mol×K | 586.98 | Joback Calculated Property |
| Cp,gas | 378.90 | J/mol×K | 623.36 | Joback Calculated Property |
| Cp,gas | 391.79 | J/mol×K | 659.75 | Joback Calculated Property |
| Cp,gas | 403.83 | J/mol×K | 696.14 | Joback Calculated Property |
| Cp,gas | 415.04 | J/mol×K | 732.53 | Joback Calculated Property |
| Cp,gas | 425.47 | J/mol×K | 768.91 | Joback Calculated Property |
| η | [0.0001973; 0.0023506] | Pa×s | [319.32; 550.59] |
|
| η | 0.0023506 | Pa×s | 319.32 | Joback Calculated Property |
| η | 0.0012452 | Pa×s | 357.87 | Joback Calculated Property |
| η | 0.0007464 | Pa×s | 396.41 | Joback Calculated Property |
| η | 0.0004899 | Pa×s | 434.95 | Joback Calculated Property |
| η | 0.0003444 | Pa×s | 473.50 | Joback Calculated Property |
| η | 0.0002552 | Pa×s | 512.04 | Joback Calculated Property |
| η | 0.0001973 | Pa×s | 550.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(t-Butoxy)benzaldehyde.
Sources
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