- InChI
- InChI=1S/C21H24O3/c22-21(15-10-17-6-4-5-7-17)24-20-13-11-19(12-14-20)23-16-18-8-2-1-3-9-18/h1-3,8-9,11-14,17H,4-7,10,15-16H2
- InChI Key
- ONWJVOOXLVMNID-UHFFFAOYSA-N
- Formula
- C21H24O3
- SMILES
-
O=C(CCC1CCCC1)Oc1ccc(OCc2ccccc
2)cc1 - Molecular Weight1
- 324.41
- 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 | 0.8183 | Relay (1.0) Calculated Property | |
| ΔfG° | 38.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -401.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.141 | Crippen Calculated Property | |
| McVol | 261.680 | ml/mol | McGowan Calculated Property |
| Pc | 1768.38 | kPa | Joback Calculated Property |
| Inp | [2684.00; 2684.00] |
|
|
| Inp | 2684.00 | NIST | |
| Inp | 2684.00 | NIST | |
| Tboil | 687.91 | K | Relay (1.0) Calculated Property |
| Tc | 936.55 | K | Relay (1.0) Calculated Property |
| Tfus | 327.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.948 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [815.20; 896.60] | J/mol×K | [852.21; 1089.13] |
|
| Cp,gas | 815.20 | J/mol×K | 852.21 | Joback Calculated Property |
| Cp,gas | 832.47 | J/mol×K | 891.70 | Joback Calculated Property |
| Cp,gas | 848.16 | J/mol×K | 931.18 | Joback Calculated Property |
| Cp,gas | 862.35 | J/mol×K | 970.67 | Joback Calculated Property |
| Cp,gas | 875.11 | J/mol×K | 1010.16 | Joback Calculated Property |
| Cp,gas | 886.50 | J/mol×K | 1049.64 | Joback Calculated Property |
| Cp,gas | 896.60 | J/mol×K | 1089.13 | Joback Calculated Property |
| η | [0.0000757; 0.0007312] | Pa×s | [497.08; 852.21] |
|
| η | 0.0007312 | Pa×s | 497.08 | Joback Calculated Property |
| η | 0.0004098 | Pa×s | 556.27 | Joback Calculated Property |
| η | 0.0002567 | Pa×s | 615.46 | Joback Calculated Property |
| η | 0.0001746 | Pa×s | 674.64 | Joback Calculated Property |
| η | 0.0001264 | Pa×s | 733.83 | Joback Calculated Property |
| η | 0.0000960 | Pa×s | 793.02 | Joback Calculated Property |
| η | 0.0000757 | Pa×s | 852.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, 4-benzyloxyphenyl ester.
Sources
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