- InChI
- InChI=1S/C11H14O3/c1-14-11(13)4-2-3-9-5-7-10(12)8-6-9/h5-8,12H,2-4H2,1H3
- InChI Key
- UZHISWLCHOMTIO-UHFFFAOYSA-N
- Formula
- C11H14O3
- SMILES
- COC(=O)CCCc1ccc(O)cc1
- Molecular Weight1
- 194.23
- CAS
- 22320-10-1
- Other Names
-
- Butyric acid, 4-(p-hydroxyphenyl)-, methyl ester
- 4-(p-Hydroxyphenyl)butyric acid methyl ester
- Methyl 4-(4-hydroxyphenyl)butanoate
- 4-(4-Hydroxyphenyl)butanoic acid methyl ester
- 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 |
|---|---|---|---|
| ΔfG° | -234.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -455.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.53 | kJ/mol | Joback Calculated Property |
| IE | 8.50 ± 0.20 | eV | NIST |
| log10WS | -1.94 | Crippen Calculated Property | |
| logPoct/wat | 1.888 | Crippen Calculated Property | |
| McVol | 155.400 | ml/mol | McGowan Calculated Property |
| Pc | 3272.78 | kPa | Joback Calculated Property |
| Tboil | 634.67 | K | Joback Calculated Property |
| Tc | 854.09 | K | Joback Calculated Property |
| Tfus | 424.03 | K | Joback Calculated Property |
| Vc | 0.533 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [398.53; 464.78] | J/mol×K | [634.67; 854.09] | 
|
| Cp,gas | 398.53 | J/mol×K | 634.67 | Joback Calculated Property |
| Cp,gas | 411.37 | J/mol×K | 671.24 | Joback Calculated Property |
| Cp,gas | 423.41 | J/mol×K | 707.81 | Joback Calculated Property |
| Cp,gas | 434.71 | J/mol×K | 744.38 | Joback Calculated Property |
| Cp,gas | 445.32 | J/mol×K | 780.95 | Joback Calculated Property |
| Cp,gas | 455.33 | J/mol×K | 817.52 | Joback Calculated Property |
| Cp,gas | 464.78 | J/mol×K | 854.09 | Joback Calculated Property |
| η | [0.0000257; 0.0007210] | Pa×s | [424.03; 634.67] |
|
| η | 0.0007210 | Pa×s | 424.03 | Joback Calculated Property |
| η | 0.0003344 | Pa×s | 459.14 | Joback Calculated Property |
| η | 0.0001730 | Pa×s | 494.24 | Joback Calculated Property |
| η | 0.0000977 | Pa×s | 529.35 | Joback Calculated Property |
| η | 0.0000592 | Pa×s | 564.46 | Joback Calculated Property |
| η | 0.0000380 | Pa×s | 599.56 | Joback Calculated Property |
| η | 0.0000257 | Pa×s | 634.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenebutanoic acid, 4-hydroxy-, methyl ester.
Sources
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