- InChI
- InChI=1S/C22H28O3/c1-2-3-4-5-6-10-13-22(23)25-21-16-14-20(15-17-21)24-18-19-11-8-7-9-12-19/h7-9,11-12,14-17H,2-6,10,13,18H2,1H3
- InChI Key
- YFLCPINRCHRNBA-UHFFFAOYSA-N
- Formula
- C22H28O3
- SMILES
-
CCCCCCCCC(=O)Oc1ccc(OCc2ccccc2
)cc1 - Molecular Weight1
- 340.46
- Other Names
-
- Nonoic acid, 4-benzyloxyphenyl ester
- 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° | 10.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -412.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.35 | kJ/mol | Joback Calculated Property |
| log10WS | -6.94 | Crippen Calculated Property | |
| logPoct/wat | 5.922 | Crippen Calculated Property | |
| McVol | 286.630 | ml/mol | McGowan Calculated Property |
| Pc | 1419.71 | kPa | Joback Calculated Property |
| Inp | [2783.00; 2783.00] |
|
|
| Inp | 2783.00 | NIST | |
| Inp | 2783.00 | NIST | |
| Tboil | 859.81 | K | Joback Calculated Property |
| Tc | 1074.51 | K | Joback Calculated Property |
| Tfus | 497.45 | K | Joback Calculated Property |
| Vc | 1.093 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [883.11; 963.21] | J/mol×K | [859.81; 1074.51] |
|
| Cp,gas | 883.11 | J/mol×K | 859.81 | Joback Calculated Property |
| Cp,gas | 899.53 | J/mol×K | 895.59 | Joback Calculated Property |
| Cp,gas | 914.67 | J/mol×K | 931.38 | Joback Calculated Property |
| Cp,gas | 928.56 | J/mol×K | 967.16 | Joback Calculated Property |
| Cp,gas | 941.26 | J/mol×K | 1002.94 | Joback Calculated Property |
| Cp,gas | 952.79 | J/mol×K | 1038.72 | Joback Calculated Property |
| Cp,gas | 963.21 | J/mol×K | 1074.51 | Joback Calculated Property |
| η | [0.0000442; 0.0005099] | Pa×s | [497.45; 859.81] |
|
| η | 0.0005099 | Pa×s | 497.45 | Joback Calculated Property |
| η | 0.0002720 | Pa×s | 557.84 | Joback Calculated Property |
| η | 0.0001640 | Pa×s | 618.24 | Joback Calculated Property |
| η | 0.0001082 | Pa×s | 678.63 | Joback Calculated Property |
| η | 0.0000764 | Pa×s | 739.02 | Joback Calculated Property |
| η | 0.0000569 | Pa×s | 799.42 | Joback Calculated Property |
| η | 0.0000442 | Pa×s | 859.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nonanoic acid, 4-benzyloxyphenyl ester.
Sources
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