- InChI
- InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+
- InChI Key
- WDKYDMULARNCIS-GQCTYLIASA-N
- Formula
- C11H12O4
- SMILES
- CCOC(=O)C=Cc1ccc(O)c(O)c1
- Molecular Weight1
- 208.21
- CAS
- 102-37-4
- 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° | -308.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -516.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.50 | kJ/mol | Joback Calculated Property |
| log10WS | -1.51 | Crippen Calculated Property | |
| logPoct/wat | 1.674 | Crippen Calculated Property | |
| McVol | 156.970 | ml/mol | McGowan Calculated Property |
| Pc | 4178.49 | kPa | Joback Calculated Property |
| Inp | [2066.00; 2066.00] |
|
|
| Inp | 2066.00 | NIST | |
| Inp | 2066.00 | NIST | |
| Tboil | 719.45 | K | Joback Calculated Property |
| Tc | 955.96 | K | Joback Calculated Property |
| Tfus | 530.67 | K | Joback Calculated Property |
| Vc | 0.479 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [420.74; 479.36] | J/mol×K | [719.45; 955.96] |
|
| Cp,gas | 420.74 | J/mol×K | 719.45 | Joback Calculated Property |
| Cp,gas | 431.38 | J/mol×K | 758.87 | Joback Calculated Property |
| Cp,gas | 441.47 | J/mol×K | 798.29 | Joback Calculated Property |
| Cp,gas | 451.17 | J/mol×K | 837.70 | Joback Calculated Property |
| Cp,gas | 460.62 | J/mol×K | 877.12 | Joback Calculated Property |
| Cp,gas | 469.97 | J/mol×K | 916.54 | Joback Calculated Property |
| Cp,gas | 479.36 | J/mol×K | 955.96 | Joback Calculated Property |
| η | [0.0000012; 0.0000343] | Pa×s | [530.67; 719.45] |
|
| η | 0.0000343 | Pa×s | 530.67 | Joback Calculated Property |
| η | 0.0000168 | Pa×s | 562.13 | Joback Calculated Property |
| η | 0.0000089 | Pa×s | 593.60 | Joback Calculated Property |
| η | 0.0000050 | Pa×s | 625.06 | Joback Calculated Property |
| η | 0.0000030 | Pa×s | 656.52 | Joback Calculated Property |
| η | 0.0000019 | Pa×s | 687.99 | Joback Calculated Property |
| η | 0.0000012 | Pa×s | 719.45 | Joback Calculated Property |
Similar Compounds
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Sources
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