- InChI
- InChI=1S/C19H22O3/c1-21-18-13-11-17(12-14-18)19(20)22-15-7-3-6-10-16-8-4-2-5-9-16/h2,4-5,8-9,11-14H,3,6-7,10,15H2,1H3
- InChI Key
- HHRNPMGBOAYALH-UHFFFAOYSA-N
- Formula
- C19H22O3
- SMILES
-
COc1ccc(C(=O)OCCCCCc2ccccc2)cc
1 - Molecular Weight1
- 298.38
- 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 | 0.8412 | Relay (1.0) Calculated Property | |
| ΔfG° | -14.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -384.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.265 | Crippen Calculated Property | |
| McVol | 244.360 | ml/mol | McGowan Calculated Property |
| Pc | 1786.37 | kPa | Joback Calculated Property |
| Inp | [2648.70; 2648.70] |
|
|
| Inp | 2648.70 | NIST | |
| Inp | 2648.70 | NIST | |
| Tboil | 664.61 | K | Relay (1.0) Calculated Property |
| Tc | 885.06 | K | Relay (1.0) Calculated Property |
| Tfus | 317.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.904 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [709.55; 788.54] | J/mol×K | [791.17; 1011.26] |
|
| Cp,gas | 709.55 | J/mol×K | 791.17 | Joback Calculated Property |
| Cp,gas | 725.70 | J/mol×K | 827.85 | Joback Calculated Property |
| Cp,gas | 740.60 | J/mol×K | 864.53 | Joback Calculated Property |
| Cp,gas | 754.30 | J/mol×K | 901.22 | Joback Calculated Property |
| Cp,gas | 766.83 | J/mol×K | 937.90 | Joback Calculated Property |
| Cp,gas | 778.23 | J/mol×K | 974.58 | Joback Calculated Property |
| Cp,gas | 788.54 | J/mol×K | 1011.26 | Joback Calculated Property |
| η | [0.0000658; 0.0006741] | Pa×s | [463.64; 791.17] |
|
| η | 0.0006741 | Pa×s | 463.64 | Joback Calculated Property |
| η | 0.0003730 | Pa×s | 518.23 | Joback Calculated Property |
| η | 0.0002310 | Pa×s | 572.82 | Joback Calculated Property |
| η | 0.0001555 | Pa×s | 627.40 | Joback Calculated Property |
| η | 0.0001115 | Pa×s | 681.99 | Joback Calculated Property |
| η | 0.0000840 | Pa×s | 736.58 | Joback Calculated Property |
| η | 0.0000658 | Pa×s | 791.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Methoxybenzoic acid, 5-phenylpentyl ester.
Sources
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