- InChI
- InChI=1S/C10H8O4/c1-6(11)10(12)7-2-3-8-9(4-7)14-5-13-8/h2-4H,5H2,1H3
- InChI Key
- FGXKZQWZZVCYBF-UHFFFAOYSA-N
- Formula
- C10H8O4
- SMILES
- CC(=O)C(=O)c1ccc2c(c1)OCO2
- Molecular Weight1
- 192.17
- Other Names
-
- R,S-3',4'-methylenedioxy-«alpha»-pyrrolidinopropiophenone-M (desamino-oxo-)
- 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° | -235.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -432.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.19 | kJ/mol | Joback Calculated Property |
| log10WS | -2.04 | Crippen Calculated Property | |
| logPoct/wat | 1.187 | Crippen Calculated Property | |
| McVol | 132.020 | ml/mol | McGowan Calculated Property |
| Pc | 3877.12 | kPa | Joback Calculated Property |
| Inp | 1525.00 | NIST | |
| Tboil | 637.89 | K | Joback Calculated Property |
| Tc | 874.30 | K | Joback Calculated Property |
| Tfus | 429.10 | K | Joback Calculated Property |
| Vc | 0.499 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [327.61; 380.94] | J/mol×K | [637.89; 874.30] | 
|
| Cp,gas | 327.61 | J/mol×K | 637.89 | Joback Calculated Property |
| Cp,gas | 338.39 | J/mol×K | 677.29 | Joback Calculated Property |
| Cp,gas | 348.32 | J/mol×K | 716.69 | Joback Calculated Property |
| Cp,gas | 357.48 | J/mol×K | 756.09 | Joback Calculated Property |
| Cp,gas | 365.93 | J/mol×K | 795.49 | Joback Calculated Property |
| Cp,gas | 373.72 | J/mol×K | 834.90 | Joback Calculated Property |
| Cp,gas | 380.94 | J/mol×K | 874.30 | Joback Calculated Property |
| η | [0.0005425; 0.0022432] | Pa×s | [429.10; 637.89] |
|
| η | 0.0022432 | Pa×s | 429.10 | Joback Calculated Property |
| η | 0.0016203 | Pa×s | 463.90 | Joback Calculated Property |
| η | 0.0012247 | Pa×s | 498.70 | Joback Calculated Property |
| η | 0.0009601 | Pa×s | 533.50 | Joback Calculated Property |
| η | 0.0007755 | Pa×s | 568.29 | Joback Calculated Property |
| η | 0.0006419 | Pa×s | 603.09 | Joback Calculated Property |
| η | 0.0005425 | Pa×s | 637.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-propanedione,1-(3,4-methylenedioxy)phenyl.
Sources
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