- InChI
- InChI=1S/C11H14O3/c1-14-10-7-5-9(6-8-10)3-2-4-11(12)13/h5-8H,2-4H2,1H3,(H,12,13)
- InChI Key
- LZHMNCJMXQKSBY-UHFFFAOYSA-N
- Formula
- C11H14O3
- SMILES
- COc1ccc(CCCC(=O)O)cc1
- Molecular Weight1
- 194.23
- CAS
- 4521-28-2
- Other Names
-
- Benzenebutanoic acid, 4-methoxy-
- (4-Methoxyphenyl)-4-butyric 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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° | -226.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -442.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.85 | kJ/mol | Joback Calculated Property |
| log10WS | -2.33 | Crippen Calculated Property | |
| logPoct/wat | 2.103 | Crippen Calculated Property | |
| McVol | 155.400 | ml/mol | McGowan Calculated Property |
| Pc | 3018.96 | kPa | Joback Calculated Property |
| Tboil | 651.21 | K | Joback Calculated Property |
| Tc | 848.16 | K | Joback Calculated Property |
| Tfus | 331.00 ± 0.50 | K | NIST |
| Vc | 0.587 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [398.99; 459.39] | J/mol×K | [651.21; 848.16] | 
|
| Cp,gas | 398.99 | J/mol×K | 651.21 | Joback Calculated Property |
| Cp,gas | 410.65 | J/mol×K | 684.04 | Joback Calculated Property |
| Cp,gas | 421.65 | J/mol×K | 716.86 | Joback Calculated Property |
| Cp,gas | 432.01 | J/mol×K | 749.69 | Joback Calculated Property |
| Cp,gas | 441.74 | J/mol×K | 782.51 | Joback Calculated Property |
| Cp,gas | 450.87 | J/mol×K | 815.34 | Joback Calculated Property |
| Cp,gas | 459.39 | J/mol×K | 848.16 | Joback Calculated Property |
| η | [0.0000566; 0.0020963] | Pa×s | [385.65; 651.21] |
|
| η | 0.0020963 | Pa×s | 385.65 | Joback Calculated Property |
| η | 0.0008421 | Pa×s | 429.91 | Joback Calculated Property |
| η | 0.0004011 | Pa×s | 474.17 | Joback Calculated Property |
| η | 0.0002168 | Pa×s | 518.43 | Joback Calculated Property |
| η | 0.0001291 | Pa×s | 562.69 | Joback Calculated Property |
| η | 0.0000829 | Pa×s | 606.95 | Joback Calculated Property |
| η | 0.0000566 | Pa×s | 651.21 | Joback Calculated Property |
| ΔfusH | 25.30 | kJ/mol | 330.90 | NIST |
Similar Compounds
Find more compounds similar to 4-(4-Methoxyphenyl)butyric acid.
Sources
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