- InChI
- InChI=1S/C10H12O3/c1-7(11)2-3-8-4-5-9(12)10(13)6-8/h4-6,12-13H,2-3H2,1H3
- InChI Key
- QIZQZQCADPIVCI-UHFFFAOYSA-N
- Formula
- C10H12O3
- SMILES
- CC(=O)CCc1ccc(O)c(O)c1
- Molecular Weight1
- 180.20
- 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° | -292.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -480.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.90 | kJ/mol | Joback Calculated Property |
| log10WS | -1.49 | Crippen Calculated Property | |
| logPoct/wat | 1.619 | Crippen Calculated Property | |
| McVol | 141.310 | ml/mol | McGowan Calculated Property |
| Pc | 4528.58 | kPa | Joback Calculated Property |
| Inp | 1749.00 | NIST | |
| Tboil | 669.99 | K | Joback Calculated Property |
| Tc | 905.37 | K | Joback Calculated Property |
| Tfus | 502.25 | K | Joback Calculated Property |
| Vc | 0.425 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [372.16; 428.97] | J/mol×K | [669.99; 905.37] | 
|
| Cp,gas | 372.16 | J/mol×K | 669.99 | Joback Calculated Property |
| Cp,gas | 382.81 | J/mol×K | 709.22 | Joback Calculated Property |
| Cp,gas | 392.80 | J/mol×K | 748.45 | Joback Calculated Property |
| Cp,gas | 402.26 | J/mol×K | 787.68 | Joback Calculated Property |
| Cp,gas | 411.36 | J/mol×K | 826.91 | Joback Calculated Property |
| Cp,gas | 420.21 | J/mol×K | 866.14 | Joback Calculated Property |
| Cp,gas | 428.97 | J/mol×K | 905.37 | Joback Calculated Property |
| η | [0.0000031; 0.0000813] | Pa×s | [502.25; 669.99] |
|
| η | 0.0000813 | Pa×s | 502.25 | Joback Calculated Property |
| η | 0.0000408 | Pa×s | 530.21 | Joback Calculated Property |
| η | 0.0000220 | Pa×s | 558.16 | Joback Calculated Property |
| η | 0.0000126 | Pa×s | 586.12 | Joback Calculated Property |
| η | 0.0000075 | Pa×s | 614.08 | Joback Calculated Property |
| η | 0.0000047 | Pa×s | 642.03 | Joback Calculated Property |
| η | 0.0000031 | Pa×s | 669.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(3,4-dihydroxyphenyl)-butan-2-one.
Sources
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