- InChI
- InChI=1S/C12H16O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)
- InChI Key
- ZCYXGVJUZBKJAI-UHFFFAOYSA-N
- Formula
- C12H16O5
- SMILES
- COc1cc(CCC(=O)O)cc(OC)c1OC
- Molecular Weight1
- 240.25
- CAS
- 25173-72-2
- Other Names
-
- 3-(3,4,5-Trimethoxyphenyl)propanoic acid
- 3,4,5-Trimethoxyphenylpropionic acid
- «beta»-(3,4,5-Trimethoxy phenyl)propionic acid
- Benzenepropanoic acid, 3,4,5-trimethoxy-
- 3,4,5-trimethoxyhydrocinnamic 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).
- 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 | 0.9222 | Relay (1.0) Calculated Property | |
| ΔfG° | -447.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -753.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.730 | Crippen Calculated Property | |
| McVol | 181.230 | ml/mol | McGowan Calculated Property |
| Pc | 2550.76 | kPa | Joback Calculated Property |
| Tboil | 601.83 | K | Relay (1.0) Calculated Property |
| Tc | 822.32 | K | Relay (1.0) Calculated Property |
| Tfus | 401.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.662 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [497.77; 557.76] | J/mol×K | [728.89; 923.64] | 
|
| Cp,gas | 497.77 | J/mol×K | 728.89 | Joback Calculated Property |
| Cp,gas | 509.53 | J/mol×K | 761.35 | Joback Calculated Property |
| Cp,gas | 520.60 | J/mol×K | 793.81 | Joback Calculated Property |
| Cp,gas | 530.98 | J/mol×K | 826.26 | Joback Calculated Property |
| Cp,gas | 540.64 | J/mol×K | 858.72 | Joback Calculated Property |
| Cp,gas | 549.57 | J/mol×K | 891.18 | Joback Calculated Property |
| Cp,gas | 557.76 | J/mol×K | 923.64 | Joback Calculated Property |
| η | [0.0000253; 0.0004238] | Pa×s | [466.42; 728.89] |
|
| η | 0.0004238 | Pa×s | 466.42 | Joback Calculated Property |
| η | 0.0002165 | Pa×s | 510.16 | Joback Calculated Property |
| η | 0.0001230 | Pa×s | 553.91 | Joback Calculated Property |
| η | 0.0000759 | Pa×s | 597.65 | Joback Calculated Property |
| η | 0.0000501 | Pa×s | 641.40 | Joback Calculated Property |
| η | 0.0000348 | Pa×s | 685.14 | Joback Calculated Property |
| η | 0.0000253 | Pa×s | 728.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(3,4,5-Trimethoxyphenyl)propionic acid.
Sources
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