- InChI
- InChI=1S/C10H12O2/c1-2-10(12-8-11)9-6-4-3-5-7-9/h3-8,10H,2H2,1H3
- InChI Key
- BSYHSYBKNKZGNL-UHFFFAOYSA-N
- Formula
- C10H12O2
- SMILES
- CCC(OC=O)c1ccccc1
- Molecular Weight1
- 164.20
- 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 | 0.4668 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -296.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.311 | Crippen Calculated Property | |
| McVol | 135.440 | ml/mol | McGowan Calculated Property |
| Pc | 3012.33 | kPa | Joback Calculated Property |
| Inp | 1223.00 | NIST | |
| Tboil | 483.68 | K | Relay (1.0) Calculated Property |
| Tc | 699.97 | K | Relay (1.0) Calculated Property |
| Tfus | 256.91 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [170.87; 409.23] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.67890e+01 | |||
| Coefficient B | 9.29120e-01 | |||
| Coefficient C | -6.67400e-04 | |||
| Coefficient D | 1.84300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 170.87 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 216.54 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 256.06 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 290.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 318.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 343.49 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 364.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 381.68 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 396.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 409.23 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0030963; 0.0003672] | Pa×s | [272.58; 506.30] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.03959e+01 | |||
| Coefficient B | 1.25887e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 272.58 | |||
| Temperature range, max. | 506.30 | |||
| η | 0.0030963 | Pa×s | 272.58 | Calculated Property |
| η | 0.0020720 | Pa×s | 298.55 | Calculated Property |
| η | 0.0014786 | Pa×s | 324.52 | Calculated Property |
| η | 0.0011092 | Pa×s | 350.49 | Calculated Property |
| η | 0.0008658 | Pa×s | 376.45 | Calculated Property |
| η | 0.0006977 | Pa×s | 402.42 | Calculated Property |
| η | 0.0005772 | Pa×s | 428.39 | Calculated Property |
| η | 0.0004880 | Pa×s | 454.36 | Calculated Property |
| η | 0.0004201 | Pa×s | 480.33 | Calculated Property |
| η | 0.0003672 | Pa×s | 506.30 | Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, 1-phenylpropyl ester.
Sources
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