- InChI
- InChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)
- InChI Key
- LHHKQWQTBCTDQM-UHFFFAOYSA-N
- Formula
- C11H14O4
- SMILES
- COc1ccc(CCC(=O)O)cc1OC
- Molecular Weight1
- 210.23
- CAS
- 2107-70-2
- Other Names
-
- Benzenepropanoic acid, 3,4-dimethoxy-
- 3-(3,4-Dimethoxyphenyl)propanoic 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° | -340.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -586.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.57 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 143.60 ± 2.20 | kJ/mol | NIST |
| ΔvapH° | 71.92 | kJ/mol | Joback Calculated Property |
| log10WS | -2.03 | Crippen Calculated Property | |
| logPoct/wat | 1.721 | Crippen Calculated Property | |
| McVol | 161.270 | ml/mol | McGowan Calculated Property |
| Pc | 2915.53 | kPa | Joback Calculated Property |
| Tboil | 678.61 | K | Joback Calculated Property |
| Tc | 875.09 | K | Joback Calculated Property |
| Tfus | 420.40 | K | Joback Calculated Property |
| Vc | 0.605 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [422.40; 481.32] | J/mol×K | [678.61; 875.09] | 
|
| Cp,gas | 422.40 | J/mol×K | 678.61 | Joback Calculated Property |
| Cp,gas | 433.78 | J/mol×K | 711.36 | Joback Calculated Property |
| Cp,gas | 444.55 | J/mol×K | 744.10 | Joback Calculated Property |
| Cp,gas | 454.68 | J/mol×K | 776.85 | Joback Calculated Property |
| Cp,gas | 464.20 | J/mol×K | 809.60 | Joback Calculated Property |
| Cp,gas | 473.08 | J/mol×K | 842.34 | Joback Calculated Property |
| Cp,gas | 481.32 | J/mol×K | 875.09 | Joback Calculated Property |
| η | [0.0000411; 0.0009642] | Pa×s | [420.40; 678.61] |
|
| η | 0.0009642 | Pa×s | 420.40 | Joback Calculated Property |
| η | 0.0004463 | Pa×s | 463.44 | Joback Calculated Property |
| η | 0.0002355 | Pa×s | 506.47 | Joback Calculated Property |
| η | 0.0001373 | Pa×s | 549.50 | Joback Calculated Property |
| η | 0.0000866 | Pa×s | 592.54 | Joback Calculated Property |
| η | 0.0000582 | Pa×s | 635.58 | Joback Calculated Property |
| η | 0.0000411 | Pa×s | 678.61 | Joback Calculated Property |
| ΔfusH | 32.38 | kJ/mol | 370.90 | NIST |
| ΔsubH | 140.30 ± 0.80 | kJ/mol | 359.00 | NIST |
Similar Compounds
Find more compounds similar to 3-(3,4-Dimethoxyphenyl)-propionic acid.
Sources
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