- InChI
- InChI=1S/C17H18O2/c1-2-14-9-6-10-16(13-14)19-17(18)12-11-15-7-4-3-5-8-15/h3-10,13H,2,11-12H2,1H3
- InChI Key
- ORTPEEHZTWMQIU-UHFFFAOYSA-N
- Formula
- C17H18O2
- SMILES
- CCc1cccc(OC(=O)CCc2ccccc2)c1
- Molecular Weight1
- 254.33
- 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.
- 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 | 0.6805 | Relay (1.0) Calculated Property | |
| ΔfG° | -2.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -241.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.787 | Crippen Calculated Property | |
| McVol | 210.310 | ml/mol | McGowan Calculated Property |
| Pc | 2069.88 | kPa | Joback Calculated Property |
| Inp | [2097.00; 2097.00] |
|
|
| Inp | 2097.00 | NIST | |
| Inp | 2097.00 | NIST | |
| Tboil | 609.69 | K | Relay (1.0) Calculated Property |
| Tc | 856.35 | K | Relay (1.0) Calculated Property |
| Tfus | 277.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.775 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [566.43; 647.90] | J/mol×K | [705.12; 932.89] |
|
| Cp,gas | 566.43 | J/mol×K | 705.12 | Joback Calculated Property |
| Cp,gas | 583.04 | J/mol×K | 743.08 | Joback Calculated Property |
| Cp,gas | 598.36 | J/mol×K | 781.04 | Joback Calculated Property |
| Cp,gas | 612.46 | J/mol×K | 819.00 | Joback Calculated Property |
| Cp,gas | 625.38 | J/mol×K | 856.97 | Joback Calculated Property |
| Cp,gas | 637.17 | J/mol×K | 894.93 | Joback Calculated Property |
| Cp,gas | 647.90 | J/mol×K | 932.89 | Joback Calculated Property |
| η | [0.0000969; 0.0013975] | Pa×s | [389.04; 705.12] |
|
| η | 0.0013975 | Pa×s | 389.04 | Joback Calculated Property |
| η | 0.0006870 | Pa×s | 441.72 | Joback Calculated Property |
| η | 0.0003929 | Pa×s | 494.40 | Joback Calculated Property |
| η | 0.0002502 | Pa×s | 547.08 | Joback Calculated Property |
| η | 0.0001725 | Pa×s | 599.76 | Joback Calculated Property |
| η | 0.0001263 | Pa×s | 652.44 | Joback Calculated Property |
| η | 0.0000969 | Pa×s | 705.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenylpropionic acid, 3-ethylphenyl ester.
Sources
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