- InChI
- InChI=1S/C12H16O4/c1-14-10-6-4-9(8-11(10)15-2)5-7-12(13)16-3/h4,6,8H,5,7H2,1-3H3
- InChI Key
- VSWFXSSYWWNFNF-UHFFFAOYSA-N
- Formula
- C12H16O4
- SMILES
- COC(=O)CCc1ccc(OC)c(OC)c1
- Molecular Weight1
- 224.25
- CAS
- 27798-73-8
- Other Names
-
- Hydrocinnamic acid, 3,4-dimethoxy-, methyl ester
- Methyl 3-(3,4-dimethoxyphenyl)propanoate
- Propanoic acid, 3-(3,4-dimethoxyphenyl), methyl ester
- 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 | 0.6940 | Relay (1.0) Calculated Property | |
| ΔfG° | -300.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -602.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.809 | Crippen Calculated Property | |
| McVol | 175.360 | ml/mol | McGowan Calculated Property |
| Pc | 2363.37 | kPa | Joback Calculated Property |
| Inp | [1676.00; 1726.00] |
|
|
| Inp | 1726.00 | NIST | |
| Inp | 1676.00 | NIST | |
| Inp | 1684.00 | NIST | |
| Tboil | 573.16 | K | Relay (1.0) Calculated Property |
| Tc | 765.55 | K | Relay (1.0) Calculated Property |
| Tfus | 314.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.654 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [444.38; 518.77] | J/mol×K | [631.73; 835.57] |
|
| Cp,gas | 444.38 | J/mol×K | 631.73 | Joback Calculated Property |
| Cp,gas | 458.60 | J/mol×K | 665.70 | Joback Calculated Property |
| Cp,gas | 472.11 | J/mol×K | 699.68 | Joback Calculated Property |
| Cp,gas | 484.90 | J/mol×K | 733.65 | Joback Calculated Property |
| Cp,gas | 496.95 | J/mol×K | 767.63 | Joback Calculated Property |
| Cp,gas | 508.24 | J/mol×K | 801.60 | Joback Calculated Property |
| Cp,gas | 518.77 | J/mol×K | 835.57 | Joback Calculated Property |
| η | [0.0001137; 0.0007650] | Pa×s | [393.08; 631.73] |
|
| η | 0.0007650 | Pa×s | 393.08 | Joback Calculated Property |
| η | 0.0004811 | Pa×s | 432.86 | Joback Calculated Property |
| η | 0.0003272 | Pa×s | 472.63 | Joback Calculated Property |
| η | 0.0002362 | Pa×s | 512.40 | Joback Calculated Property |
| η | 0.0001787 | Pa×s | 552.18 | Joback Calculated Property |
| η | 0.0001404 | Pa×s | 591.96 | Joback Calculated Property |
| η | 0.0001137 | Pa×s | 631.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenepropanoic acid, 3,4-dimethoxy-, methyl ester.
Sources
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