- InChI
- InChI=1S/C11H14O2/c1-4-11(12)13-10-7-5-6-8(2)9(10)3/h5-7H,4H2,1-3H3
- InChI Key
- RVZGETIBLNCJPU-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- CCC(=O)Oc1cccc(C)c1C
- Molecular Weight1
- 178.23
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5525 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -372.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.619 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Pc | 2581.96 | kPa | Joback Calculated Property |
| Inp | 1377.00 | NIST | |
| Tboil | 510.81 | K | Relay (1.0) Calculated Property |
| Tc | 732.73 | K | Relay (1.0) Calculated Property |
| Tfus | 289.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.550 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [341.56; 415.61] | J/mol×K | [546.14; 755.01] | 
|
| Cp,gas | 341.56 | J/mol×K | 546.14 | Joback Calculated Property |
| Cp,gas | 355.75 | J/mol×K | 580.95 | Joback Calculated Property |
| Cp,gas | 369.19 | J/mol×K | 615.76 | Joback Calculated Property |
| Cp,gas | 381.88 | J/mol×K | 650.58 | Joback Calculated Property |
| Cp,gas | 393.85 | J/mol×K | 685.39 | Joback Calculated Property |
| Cp,gas | 405.08 | J/mol×K | 720.20 | Joback Calculated Property |
| Cp,gas | 415.61 | J/mol×K | 755.01 | Joback Calculated Property |
| η | [0.0001736; 0.0018534] | Pa×s | [307.52; 546.14] |
|
| η | 0.0018534 | Pa×s | 307.52 | Joback Calculated Property |
| η | 0.0009963 | Pa×s | 347.29 | Joback Calculated Property |
| η | 0.0006085 | Pa×s | 387.06 | Joback Calculated Property |
| η | 0.0004074 | Pa×s | 426.83 | Joback Calculated Property |
| η | 0.0002920 | Pa×s | 466.60 | Joback Calculated Property |
| η | 0.0002206 | Pa×s | 506.37 | Joback Calculated Property |
| η | 0.0001736 | Pa×s | 546.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propionic acid, 2,3-dimethylphenyl ester.
Sources
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