- InChI
- InChI=1S/C10H12O2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12)
- InChI Key
- VWXVTHDQAOAENP-UHFFFAOYSA-N
- Formula
- C10H12O2
- SMILES
- Cc1cccc(CCC(=O)O)c1
- Molecular Weight1
- 164.20
- CAS
- 3751-48-2
- Other Names
-
- Propionic acid, 3-[3-methylphenyl]-
- 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 | 0.7121 | Relay (... Calculated Property | |
| ΔfG° | -129.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -363.23 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.28 | kJ/mol | Relay (... Calculated Property |
| IE | 8.66 | eV | Relay (... Calculated Property |
| log10WS | -1.94 | Relay (... Calculated Property | |
| logPoct/wat | 2.012 | Crippen Calculated Property | |
| McVol | 135.440 | ml/mol | McGowan Calculated Property |
| Pc | 3431.89 | kPa | Joback Calculated Property |
| Tboil | 554.39 | K | Relay (... Calculated Property |
| Tc | 770.71 | K | Relay (... Calculated Property |
| Tfus | 318.60 | K | Relay (... Calculated Property |
| Vc | 0.486 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [326.71; 384.07] | J/mol×K | [605.91; 807.12] | 
|
| Cp,gas | 326.71 | J/mol×K | 605.91 | Joback Calculated Property |
| Cp,gas | 337.80 | J/mol×K | 639.45 | Joback Calculated Property |
| Cp,gas | 348.25 | J/mol×K | 672.98 | Joback Calculated Property |
| Cp,gas | 358.07 | J/mol×K | 706.52 | Joback Calculated Property |
| Cp,gas | 367.30 | J/mol×K | 740.05 | Joback Calculated Property |
| Cp,gas | 375.96 | J/mol×K | 773.59 | Joback Calculated Property |
| Cp,gas | 384.07 | J/mol×K | 807.12 | Joback Calculated Property |
| η | [0.0000889; 0.0039982] | Pa×s | [352.15; 605.91] |
|
| η | 0.0039982 | Pa×s | 352.15 | Joback Calculated Property |
| η | 0.0015091 | Pa×s | 394.44 | Joback Calculated Property |
| η | 0.0006879 | Pa×s | 436.74 | Joback Calculated Property |
| η | 0.0003602 | Pa×s | 479.03 | Joback Calculated Property |
| η | 0.0002095 | Pa×s | 521.32 | Joback Calculated Property |
| η | 0.0001322 | Pa×s | 563.62 | Joback Calculated Property |
| η | 0.0000889 | Pa×s | 605.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(3-Methylphenyl)propionic acid.
Sources
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