- InChI
- InChI=1S/C18H28O3/c1-2-3-4-5-6-7-11-14-18(19)21-16-15-20-17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3
- InChI Key
- JBVZCOPEBAWJOB-UHFFFAOYSA-N
- Formula
- C18H28O3
- SMILES
- CCCCCCCCCC(=O)OCCOc1ccccc1
- Molecular Weight1
- 292.41
- 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 | 0.8927 | Relay (1.0) Calculated Property | |
| ΔfG° | -125.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -611.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.749 | Crippen Calculated Property | |
| McVol | 254.030 | ml/mol | McGowan Calculated Property |
| Pc | 1495.35 | kPa | Joback Calculated Property |
| Inp | [2118.00; 2118.00] |
|
|
| Inp | 2118.00 | NIST | |
| Inp | 2118.00 | NIST | |
| Tboil | 616.81 | K | Relay (1.0) Calculated Property |
| Tc | 806.94 | K | Relay (1.0) Calculated Property |
| Tfus | 300.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.962 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [740.74; 830.45] | J/mol×K | [736.63; 928.27] |
|
| Cp,gas | 740.74 | J/mol×K | 736.63 | Joback Calculated Property |
| Cp,gas | 758.14 | J/mol×K | 768.57 | Joback Calculated Property |
| Cp,gas | 774.52 | J/mol×K | 800.51 | Joback Calculated Property |
| Cp,gas | 789.93 | J/mol×K | 832.45 | Joback Calculated Property |
| Cp,gas | 804.37 | J/mol×K | 864.39 | Joback Calculated Property |
| Cp,gas | 817.87 | J/mol×K | 896.33 | Joback Calculated Property |
| Cp,gas | 830.45 | J/mol×K | 928.27 | Joback Calculated Property |
| η | [0.0000734; 0.0010750] | Pa×s | [413.43; 736.63] |
|
| η | 0.0010750 | Pa×s | 413.43 | Joback Calculated Property |
| η | 0.0005311 | Pa×s | 467.30 | Joback Calculated Property |
| η | 0.0003035 | Pa×s | 521.16 | Joback Calculated Property |
| η | 0.0001927 | Pa×s | 575.03 | Joback Calculated Property |
| η | 0.0001322 | Pa×s | 628.90 | Joback Calculated Property |
| η | 0.0000962 | Pa×s | 682.76 | Joback Calculated Property |
| η | 0.0000734 | Pa×s | 736.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Phenoxyethyl caprate.
Sources
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