- InChI
- InChI=1S/C19H16O2/c20-19(13-10-15-6-2-1-3-7-15)21-18-12-11-16-8-4-5-9-17(16)14-18/h1-9,11-12,14H,10,13H2
- InChI Key
- UJLMWHLDQYNCQZ-UHFFFAOYSA-N
- Formula
- C19H16O2
- SMILES
- O=C(CCc1ccccc1)Oc1ccc2ccccc2c1
- Molecular Weight1
- 276.33
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 197.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -27.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.90 | kJ/mol | Joback Calculated Property |
| log10WS | -5.62 | Crippen Calculated Property | |
| logPoct/wat | 4.378 | Crippen Calculated Property | |
| McVol | 219.030 | ml/mol | McGowan Calculated Property |
| Pc | 2258.96 | kPa | Joback Calculated Property |
| Inp | 2420.00 | NIST | |
| Tboil | 787.73 | K | Joback Calculated Property |
| Tc | 1033.89 | K | Joback Calculated Property |
| Tfus | 474.11 | K | Joback Calculated Property |
| Vc | 0.830 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [610.60; 684.31] | J/mol×K | [787.73; 1033.89] | 
|
| Cp,gas | 610.60 | J/mol×K | 787.73 | Joback Calculated Property |
| Cp,gas | 625.64 | J/mol×K | 828.76 | Joback Calculated Property |
| Cp,gas | 639.44 | J/mol×K | 869.78 | Joback Calculated Property |
| Cp,gas | 652.10 | J/mol×K | 910.81 | Joback Calculated Property |
| Cp,gas | 663.72 | J/mol×K | 951.84 | Joback Calculated Property |
| Cp,gas | 674.43 | J/mol×K | 992.86 | Joback Calculated Property |
| Cp,gas | 684.31 | J/mol×K | 1033.89 | Joback Calculated Property |
| η | [0.0001640; 0.0010280] | Pa×s | [474.11; 787.73] |
|
| η | 0.0010280 | Pa×s | 474.11 | Joback Calculated Property |
| η | 0.0006504 | Pa×s | 526.38 | Joback Calculated Property |
| η | 0.0004470 | Pa×s | 578.65 | Joback Calculated Property |
| η | 0.0003269 | Pa×s | 630.92 | Joback Calculated Property |
| η | 0.0002508 | Pa×s | 683.19 | Joback Calculated Property |
| η | 0.0001998 | Pa×s | 735.46 | Joback Calculated Property |
| η | 0.0001640 | Pa×s | 787.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenylpropionic acid, 2- naphthyl ester.
Sources
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