- InChI
- InChI=1S/C10H12O3/c1-7(10(11)12)8-3-5-9(13-2)6-4-8/h3-7H,1-2H3,(H,11,12)
- InChI Key
- KBDLTYNZHQRMQC-UHFFFAOYSA-N
- Formula
- C10H12O3
- SMILES
- COc1ccc(C(C)C(=O)O)cc1
- Molecular Weight1
- 180.20
- Other Names
-
- 2-(4-Methoxyphenyl)propanoic acid
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6984 | Relay (1.0) Calculated Property | |
| ΔfG° | -237.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -494.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.883 | Crippen Calculated Property | |
| McVol | 141.310 | ml/mol | McGowan Calculated Property |
| Pc | 3395.98 | kPa | Joback Calculated Property |
| Inp | [1529.00; 1529.00] |
|
|
| Inp | 1529.00 | NIST | |
| Inp | 1529.00 | NIST | |
| Inp | 1529.00 | NIST | |
| Tboil | 565.18 | K | Relay (1.0) Calculated Property |
| Tc | 771.36 | K | Relay (1.0) Calculated Property |
| Tfus | 353.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.495 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.72; 408.47] | J/mol×K | [627.89; 831.09] |
|
| Cp,gas | 350.72 | J/mol×K | 627.89 | Joback Calculated Property |
| Cp,gas | 361.92 | J/mol×K | 661.76 | Joback Calculated Property |
| Cp,gas | 372.47 | J/mol×K | 695.62 | Joback Calculated Property |
| Cp,gas | 382.39 | J/mol×K | 729.49 | Joback Calculated Property |
| Cp,gas | 391.69 | J/mol×K | 763.36 | Joback Calculated Property |
| Cp,gas | 400.38 | J/mol×K | 797.22 | Joback Calculated Property |
| Cp,gas | 408.47 | J/mol×K | 831.09 | Joback Calculated Property |
| η | [0.0000622; 0.0033905] | Pa×s | [359.38; 627.89] |
|
| η | 0.0033905 | Pa×s | 359.38 | Joback Calculated Property |
| η | 0.0012040 | Pa×s | 404.13 | Joback Calculated Property |
| η | 0.0005256 | Pa×s | 448.88 | Joback Calculated Property |
| η | 0.0002667 | Pa×s | 493.63 | Joback Calculated Property |
| η | 0.0001515 | Pa×s | 538.39 | Joback Calculated Property |
| η | 0.0000938 | Pa×s | 583.14 | Joback Calculated Property |
| η | 0.0000622 | Pa×s | 627.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-(4-methoxyphenyl).
Sources
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