- InChI
- InChI=1S/C10H10O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1,3,5H,2,4,6H2,(H,11,12)
- InChI Key
- UIYJGLLTSVRSBM-UHFFFAOYSA-N
- Formula
- C10H10O4
- SMILES
- O=C(O)CCc1ccc2c(c1)OCO2
- Molecular Weight1
- 194.18
- CAS
- 2815-95-4
- Other Names
-
- 3-(3,4-Methylenedioxyphenyl)propionic acid
- 1,3-Benzodioxole-5-propanoic acid
- Hydrocinnamic acid, 3,4-(methylenedioxy)-
- 3,4-(Methylenedioxy)hydrocinnamic acid
- benzo-1,3-dioxole-5-propionic acid
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.7955 | Relay (... Calculated Property | |
| ΔfG° | -243.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -570.93 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.88 | kJ/mol | Relay (... Calculated Property |
| IE | 8.22 | eV | Relay (... Calculated Property |
| log10WS | -2.33 | Relay (... Calculated Property | |
| logPoct/wat | 1.432 | Crippen Calculated Property | |
| McVol | 136.320 | ml/mol | McGowan Calculated Property |
| Pc | 4021.02 | kPa | Joback Calculated Property |
| Tboil | 588.25 | K | Relay (... Calculated Property |
| Tc | 846.69 | K | Relay (... Calculated Property |
| Tfus | 372.39 | K | Relay (... Calculated Property |
| Vc | 0.521 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [361.32; 410.80] | J/mol×K | [676.20; 888.16] | 
|
| Cp,gas | 361.32 | J/mol×K | 676.20 | Joback Calculated Property |
| Cp,gas | 371.03 | J/mol×K | 711.53 | Joback Calculated Property |
| Cp,gas | 380.09 | J/mol×K | 746.85 | Joback Calculated Property |
| Cp,gas | 388.54 | J/mol×K | 782.18 | Joback Calculated Property |
| Cp,gas | 396.44 | J/mol×K | 817.51 | Joback Calculated Property |
| Cp,gas | 403.84 | J/mol×K | 852.84 | Joback Calculated Property |
| Cp,gas | 410.80 | J/mol×K | 888.16 | Joback Calculated Property |
| η | [0.0001390; 0.0019615] | Pa×s | [439.99; 676.20] |
|
| η | 0.0019615 | Pa×s | 439.99 | Joback Calculated Property |
| η | 0.0010527 | Pa×s | 479.36 | Joback Calculated Property |
| η | 0.0006209 | Pa×s | 518.73 | Joback Calculated Property |
| η | 0.0003946 | Pa×s | 558.10 | Joback Calculated Property |
| η | 0.0002662 | Pa×s | 597.46 | Joback Calculated Property |
| η | 0.0001885 | Pa×s | 636.83 | Joback Calculated Property |
| η | 0.0001390 | Pa×s | 676.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»(3,4-Methylenedioxyphenyl)propionic acid.
Sources
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