- InChI
- InChI=1S/C16H24O3/c1-2-3-4-5-9-12-16(17)19-14-13-18-15-10-7-6-8-11-15/h6-8,10-11H,2-5,9,12-14H2,1H3
- InChI Key
- FTLLYZOWBWEERE-UHFFFAOYSA-N
- Formula
- C16H24O3
- SMILES
- CCCCCCCC(=O)OCCOc1ccccc1
- Molecular Weight1
- 264.36
- 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 | 0.8150 | Relay (1.0) Calculated Property | |
| ΔfG° | -142.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -568.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.969 | Crippen Calculated Property | |
| McVol | 225.850 | ml/mol | McGowan Calculated Property |
| Pc | 1744.82 | kPa | Joback Calculated Property |
| Inp | [1916.00; 1916.00] |
|
|
| Inp | 1916.00 | NIST | |
| Inp | 1916.00 | NIST | |
| Tboil | 599.65 | K | Relay (1.0) Calculated Property |
| Tc | 788.06 | K | Relay (1.0) Calculated Property |
| Tfus | 290.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.852 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [628.67; 715.59] | J/mol×K | [690.87; 885.06] |
|
| Cp,gas | 628.67 | J/mol×K | 690.87 | Joback Calculated Property |
| Cp,gas | 645.46 | J/mol×K | 723.23 | Joback Calculated Property |
| Cp,gas | 661.30 | J/mol×K | 755.60 | Joback Calculated Property |
| Cp,gas | 676.22 | J/mol×K | 787.96 | Joback Calculated Property |
| Cp,gas | 690.23 | J/mol×K | 820.33 | Joback Calculated Property |
| Cp,gas | 703.35 | J/mol×K | 852.69 | Joback Calculated Property |
| Cp,gas | 715.59 | J/mol×K | 885.06 | Joback Calculated Property |
| η | [0.0000944; 0.0012718] | Pa×s | [390.89; 690.87] |
|
| η | 0.0012718 | Pa×s | 390.89 | Joback Calculated Property |
| η | 0.0006449 | Pa×s | 440.89 | Joback Calculated Property |
| η | 0.0003755 | Pa×s | 490.88 | Joback Calculated Property |
| η | 0.0002417 | Pa×s | 540.88 | Joback Calculated Property |
| η | 0.0001676 | Pa×s | 590.88 | Joback Calculated Property |
| η | 0.0001230 | Pa×s | 640.87 | Joback Calculated Property |
| η | 0.0000944 | Pa×s | 690.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Phenoxyethyl caprylate.
Sources
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