- InChI
- InChI=1S/C10H12O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)
- InChI Key
- FIUFLISGGHNPSM-UHFFFAOYSA-N
- Formula
- C10H12O3
- SMILES
- COc1ccc(CCC(=O)O)cc1
- Molecular Weight1
- 180.20
- CAS
- 1929-29-9
- Other Names
-
- 3-(4-Methoxyphenyl)propanoic acid
- p-Methoxyhydrocinnamic acid
- Benzenepropanoic acid, 4-methoxy-
- 3-(p-Methoxyphenyl)propionic acid
- NSC 51509
- Hydrocinnamic acid, p-methoxy-
- 4-Methoxybenzenepropanoic 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation 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° | -234.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -421.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.18 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 124.50 ± 1.70 | kJ/mol | NIST |
| ΔvapH° | 66.63 | kJ/mol | Joback Calculated Property |
| log10WS | -1.91 | Crippen Calculated Property | |
| logPoct/wat | 1.712 | Crippen Calculated Property | |
| McVol | 141.310 | ml/mol | McGowan Calculated Property |
| Pc | 3364.54 | kPa | Joback Calculated Property |
| Tboil | 628.33 | K | Joback Calculated Property |
| Tc | 827.77 | K | Joback Calculated Property |
| Tfus | 374.38 | K | Joback Calculated Property |
| Vc | 0.530 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.22; 406.96] | J/mol×K | [628.33; 827.77] | 
|
| Cp,gas | 350.22 | J/mol×K | 628.33 | Joback Calculated Property |
| Cp,gas | 361.17 | J/mol×K | 661.57 | Joback Calculated Property |
| Cp,gas | 371.50 | J/mol×K | 694.81 | Joback Calculated Property |
| Cp,gas | 381.24 | J/mol×K | 728.05 | Joback Calculated Property |
| Cp,gas | 390.39 | J/mol×K | 761.29 | Joback Calculated Property |
| Cp,gas | 398.96 | J/mol×K | 794.53 | Joback Calculated Property |
| Cp,gas | 406.96 | J/mol×K | 827.77 | Joback Calculated Property |
| η | [0.0000667; 0.0024094] | Pa×s | [374.38; 628.33] |
|
| η | 0.0024094 | Pa×s | 374.38 | Joback Calculated Property |
| η | 0.0009783 | Pa×s | 416.70 | Joback Calculated Property |
| η | 0.0004691 | Pa×s | 459.03 | Joback Calculated Property |
| η | 0.0002546 | Pa×s | 501.35 | Joback Calculated Property |
| η | 0.0001520 | Pa×s | 543.68 | Joback Calculated Property |
| η | 0.0000978 | Pa×s | 586.00 | Joback Calculated Property |
| η | 0.0000667 | Pa×s | 628.33 | Joback Calculated Property |
| ΔfusH | [28.50; 29.57] | kJ/mol | [376.10; 376.90] |
|
| ΔfusH | 29.57 | kJ/mol | 376.10 | NIST |
| ΔfusH | 28.50 | kJ/mol | 376.90 | NIST |
| ΔsubH | 122.30 ± 0.30 | kJ/mol | 349.00 | NIST |
Similar Compounds
Find more compounds similar to 3-(4-Methoxyphenyl)propionic acid.
Sources
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