- InChI
- InChI=1S/C11H14O2/c1-3-11(13-9(2)12)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3
- InChI Key
- KPUCACGWLYWKKD-UHFFFAOYSA-N
- Formula
- C11H14O2
- SMILES
- CCC(OC(C)=O)c1ccccc1
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4715 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -368.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.701 | Crippen Calculated Property | |
| McVol | 149.530 | ml/mol | McGowan Calculated Property |
| Pc | 2684.64 | kPa | Joback Calculated Property |
| Inp | 1287.00 | NIST | |
| Tboil | 488.90 | K | Relay (1.0) Calculated Property |
| Tc | 706.32 | K | Relay (1.0) Calculated Property |
| Tfus | 261.97 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, 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 | [341.98; 420.20] | J/mol×K | [535.74; 746.99] | 
|
| Cp,gas | 341.98 | J/mol×K | 535.74 | Joback Calculated Property |
| Cp,gas | 357.20 | J/mol×K | 570.95 | Joback Calculated Property |
| Cp,gas | 371.51 | J/mol×K | 606.16 | Joback Calculated Property |
| Cp,gas | 384.95 | J/mol×K | 641.36 | Joback Calculated Property |
| Cp,gas | 397.52 | J/mol×K | 676.57 | Joback Calculated Property |
| Cp,gas | 409.27 | J/mol×K | 711.78 | Joback Calculated Property |
| Cp,gas | 420.20 | J/mol×K | 746.99 | Joback Calculated Property |
| η | [0.0001734; 0.0051094] | Pa×s | [267.48; 535.74] |
|
| η | 0.0051094 | Pa×s | 267.48 | Joback Calculated Property |
| η | 0.0019416 | Pa×s | 312.19 | Joback Calculated Property |
| η | 0.0009402 | Pa×s | 356.90 | Joback Calculated Property |
| η | 0.0005351 | Pa×s | 401.61 | Joback Calculated Property |
| η | 0.0003409 | Pa×s | 446.32 | Joback Calculated Property |
| η | 0.0002358 | Pa×s | 491.03 | Joback Calculated Property |
| η | 0.0001734 | Pa×s | 535.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, 1-phenylpropyl ester.
Sources
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