- InChI
- InChI=1S/C12H16O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
- InChI Key
- GTNCESCYZPMXCJ-UHFFFAOYSA-N
- Formula
- C12H16O2
- SMILES
- CCC(=O)OCCCc1ccccc1
- Molecular Weight1
- 192.26
- Other Names
-
- 1-Propanol, 3-phenyl-, propionate
- 3-Phenylpropyl propionate
- Hydrocinnamyl propionate
- Phenylpropyl propionate
- «beta»-Phenylpropyl propionate
- 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).
- Inp : Non-polar retention indices.
- Ip : 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 | 0.5819 | Relay (1.0) Calculated Property | |
| ΔfG° | -147.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -356.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.572 | Crippen Calculated Property | |
| McVol | 163.620 | ml/mol | McGowan Calculated Property |
| Pc | 2417.12 | kPa | Joback Calculated Property |
| Inp | [1445.00; 1445.00] |
|
|
| Inp | 1445.00 | NIST | |
| Inp | 1445.00 | NIST | |
| Ip | [1994.00; 1994.00] |
|
|
| Ip | 1994.00 | NIST | |
| Ip | 1994.00 | NIST | |
| Tboil | 534.92 | K | Relay (1.0) Calculated Property |
| Tc | 736.29 | K | Relay (1.0) Calculated Property |
| Tfus | 242.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.611 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [219.13; 528.00] | 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 | -1.65160e+01 | |||
| Coefficient B | 1.01012e+00 | |||
| Coefficient C | -5.65600e-04 | |||
| Coefficient D | 1.00000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 219.13 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 274.48 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 323.84 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 367.51 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 405.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 439.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 467.63 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 491.74 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 511.77 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 528.00 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0034193; 0.0001972] | Pa×s | [293.75; 533.85] |
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 | -1.20222e+01 | |||
| Coefficient B | 1.86350e+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. | 293.75 | |||
| Temperature range, max. | 533.85 | |||
| η | 0.0034193 | Pa×s | 293.75 | Calculated Property |
| η | 0.0020163 | Pa×s | 320.43 | Calculated Property |
| η | 0.0012895 | Pa×s | 347.11 | Calculated Property |
| η | 0.0008791 | Pa×s | 373.78 | Calculated Property |
| η | 0.0006306 | Pa×s | 400.46 | Calculated Property |
| η | 0.0004716 | Pa×s | 427.14 | Calculated Property |
| η | 0.0003649 | Pa×s | 453.82 | Calculated Property |
| η | 0.0002905 | Pa×s | 480.50 | Calculated Property |
| η | 0.0002369 | Pa×s | 507.17 | Calculated Property |
| η | 0.0001972 | Pa×s | 533.85 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenylpropyl n-propionate.
Sources
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