- InChI
- InChI=1S/C21H26O3/c1-3-5-11-17(4-2)16-23-21(22)19-14-9-10-15-20(19)24-18-12-7-6-8-13-18/h6-10,12-15,17H,3-5,11,16H2,1-2H3
- InChI Key
- MFXGMWHXGXQNKD-UHFFFAOYSA-N
- Formula
- C21H26O3
- SMILES
-
CCCCC(CC)COC(=O)c1ccccc1Oc1ccc
cc1 - Molecular Weight1
- 326.43
- 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 | 0.8437 | Relay (... Calculated Property | |
| ΔfG° | -0.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -474.34 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 38.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.07 | kJ/mol | Relay (... Calculated Property |
| IE | 8.06 | eV | Relay (... Calculated Property |
| log10WS | -6.26 | Relay (... Calculated Property | |
| logPoct/wat | 5.852 | Crippen Calculated Property | |
| McVol | 272.540 | ml/mol | McGowan Calculated Property |
| Pc | 1537.87 | kPa | Joback Calculated Property |
| Inp | 2256.00 | NIST | |
| Tboil | 656.60 | K | Relay (... Calculated Property |
| Tc | 889.87 | K | Relay (... Calculated Property |
| Tfus | 252.12 | K | Relay (... Calculated Property |
| Vc | 0.977 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [824.97; 905.39] | J/mol×K | [836.49; 1055.17] | 
|
| Cp,gas | 824.97 | J/mol×K | 836.49 | Joback Calculated Property |
| Cp,gas | 841.52 | J/mol×K | 872.94 | Joback Calculated Property |
| Cp,gas | 856.75 | J/mol×K | 909.38 | Joback Calculated Property |
| Cp,gas | 870.72 | J/mol×K | 945.83 | Joback Calculated Property |
| Cp,gas | 883.45 | J/mol×K | 982.28 | Joback Calculated Property |
| Cp,gas | 894.99 | J/mol×K | 1018.73 | Joback Calculated Property |
| Cp,gas | 905.39 | J/mol×K | 1055.17 | Joback Calculated Property |
| η | [0.0000464; 0.0006399] | Pa×s | [471.18; 836.49] |
|
| η | 0.0006399 | Pa×s | 471.18 | Joback Calculated Property |
| η | 0.0003217 | Pa×s | 532.07 | Joback Calculated Property |
| η | 0.0001863 | Pa×s | 592.95 | Joback Calculated Property |
| η | 0.0001194 | Pa×s | 653.84 | Joback Calculated Property |
| η | 0.0000826 | Pa×s | 714.72 | Joback Calculated Property |
| η | 0.0000605 | Pa×s | 775.61 | Joback Calculated Property |
| η | 0.0000464 | Pa×s | 836.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylhexyl 2-phenoxybenzoate.
Sources
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