- InChI
- InChI=1S/C13H12O4/c1-14-10-8-5-3-4-6-9(8)11(15-2)13-12(10)16-7-17-13/h3-6H,7H2,1-2H3
- InChI Key
- TYUZNCUSMBTHNZ-UHFFFAOYSA-N
- Formula
- C13H12O4
- SMILES
- COc1c2c(c(OC)c3ccccc13)OCO2
- Molecular Weight1
- 232.23
- CAS
- 74066-34-5
- 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° | -74.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -365.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.16 | kJ/mol | Joback Calculated Property |
| log10WS | -3.73 | Crippen Calculated Property | |
| logPoct/wat | 2.586 | Crippen Calculated Property | |
| McVol | 163.430 | ml/mol | McGowan Calculated Property |
| Pc | 2956.90 | kPa | Joback Calculated Property |
| Inp | [1907.00; 1907.00] |
|
|
| Inp | 1907.00 | NIST | |
| Inp | 1907.00 | NIST | |
| Tboil | 672.57 | K | Joback Calculated Property |
| Tc | 905.76 | K | Joback Calculated Property |
| Tfus | 465.25 | K | Joback Calculated Property |
| Vc | 0.614 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [430.70; 497.46] | J/mol×K | [672.57; 905.76] |
|
| Cp,gas | 430.70 | J/mol×K | 672.57 | Joback Calculated Property |
| Cp,gas | 443.82 | J/mol×K | 711.43 | Joback Calculated Property |
| Cp,gas | 456.06 | J/mol×K | 750.30 | Joback Calculated Property |
| Cp,gas | 467.50 | J/mol×K | 789.16 | Joback Calculated Property |
| Cp,gas | 478.17 | J/mol×K | 828.03 | Joback Calculated Property |
| Cp,gas | 488.14 | J/mol×K | 866.89 | Joback Calculated Property |
| Cp,gas | 497.46 | J/mol×K | 905.76 | Joback Calculated Property |
| η | [0.0004175; 0.0011242] | Pa×s | [465.25; 672.57] |
|
| η | 0.0011242 | Pa×s | 465.25 | Joback Calculated Property |
| η | 0.0009002 | Pa×s | 499.80 | Joback Calculated Property |
| η | 0.0007419 | Pa×s | 534.36 | Joback Calculated Property |
| η | 0.0006260 | Pa×s | 568.91 | Joback Calculated Property |
| η | 0.0005385 | Pa×s | 603.46 | Joback Calculated Property |
| η | 0.0004709 | Pa×s | 638.02 | Joback Calculated Property |
| η | 0.0004175 | Pa×s | 672.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to wettstein B.
Sources
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