- InChI
- InChI=1S/C11H14O4/c1-14-10-7-8(3-5-9(10)12)4-6-11(13)15-2/h3,5,7,12H,4,6H2,1-2H3
- InChI Key
- PDTCYIZPTRRYOT-UHFFFAOYSA-N
- Formula
- C11H14O4
- SMILES
- COC(=O)CCc1ccc(O)c(OC)c1
- Molecular Weight1
- 210.23
- CAS
- 56024-44-3
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -349.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -599.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.60 | kJ/mol | Joback Calculated Property |
| log10WS | -1.64 | Crippen Calculated Property | |
| logPoct/wat | 1.506 | Crippen Calculated Property | |
| McVol | 161.270 | ml/mol | McGowan Calculated Property |
| Pc | 3156.17 | kPa | Joback Calculated Property |
| Inp | [1644.00; 1683.80] |
|
|
| Inp | 1644.00 | NIST | |
| Inp | 1683.80 | NIST | |
| Tboil | 662.07 | K | Joback Calculated Property |
| Tc | 879.72 | K | Joback Calculated Property |
| Tfus | 458.78 | K | Joback Calculated Property |
| Vc | 0.551 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [421.72; 486.51] | J/mol×K | [662.07; 879.72] |
|
| Cp,gas | 421.72 | J/mol×K | 662.07 | Joback Calculated Property |
| Cp,gas | 434.18 | J/mol×K | 698.34 | Joback Calculated Property |
| Cp,gas | 445.92 | J/mol×K | 734.62 | Joback Calculated Property |
| Cp,gas | 456.99 | J/mol×K | 770.89 | Joback Calculated Property |
| Cp,gas | 467.41 | J/mol×K | 807.17 | Joback Calculated Property |
| Cp,gas | 477.24 | J/mol×K | 843.44 | Joback Calculated Property |
| Cp,gas | 486.51 | J/mol×K | 879.72 | Joback Calculated Property |
| η | [0.0000175; 0.0003177] | Pa×s | [458.78; 662.07] |
|
| η | 0.0003177 | Pa×s | 458.78 | Joback Calculated Property |
| η | 0.0001660 | Pa×s | 492.66 | Joback Calculated Property |
| η | 0.0000943 | Pa×s | 526.54 | Joback Calculated Property |
| η | 0.0000573 | Pa×s | 560.42 | Joback Calculated Property |
| η | 0.0000369 | Pa×s | 594.31 | Joback Calculated Property |
| η | 0.0000249 | Pa×s | 628.19 | Joback Calculated Property |
| η | 0.0000175 | Pa×s | 662.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenepropanoic acid, 4-hydroxy-3-methoxy, methyl ester.
Sources
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