- InChI
- InChI=1S/C14H20O3/c1-2-3-5-10-14(15)17-12-11-16-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3
- InChI Key
- KPKMFOVQBMXMOI-UHFFFAOYSA-N
- Formula
- C14H20O3
- SMILES
- CCCCCC(=O)OCCOc1ccccc1
- Molecular Weight1
- 236.31
- 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 | 0.7334 | Relay (1.0) Calculated Property | |
| ΔfG° | -159.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -525.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.189 | Crippen Calculated Property | |
| McVol | 197.670 | ml/mol | McGowan Calculated Property |
| Pc | 2062.36 | kPa | Joback Calculated Property |
| Inp | [1717.00; 1717.00] |
|
|
| Inp | 1717.00 | NIST | |
| Inp | 1717.00 | NIST | |
| Tboil | 576.58 | K | Relay (1.0) Calculated Property |
| Tc | 766.08 | K | Relay (1.0) Calculated Property |
| Tfus | 281.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.742 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [521.43; 604.40] | J/mol×K | [645.11; 843.53] |
|
| Cp,gas | 521.43 | J/mol×K | 645.11 | Joback Calculated Property |
| Cp,gas | 537.41 | J/mol×K | 678.18 | Joback Calculated Property |
| Cp,gas | 552.51 | J/mol×K | 711.25 | Joback Calculated Property |
| Cp,gas | 566.74 | J/mol×K | 744.32 | Joback Calculated Property |
| Cp,gas | 580.13 | J/mol×K | 777.39 | Joback Calculated Property |
| Cp,gas | 592.68 | J/mol×K | 810.46 | Joback Calculated Property |
| Cp,gas | 604.40 | J/mol×K | 843.53 | Joback Calculated Property |
| η | [0.0001194; 0.0014644] | Pa×s | [368.35; 645.11] |
|
| η | 0.0014644 | Pa×s | 368.35 | Joback Calculated Property |
| η | 0.0007642 | Pa×s | 414.48 | Joback Calculated Property |
| η | 0.0004543 | Pa×s | 460.60 | Joback Calculated Property |
| η | 0.0002969 | Pa×s | 506.73 | Joback Calculated Property |
| η | 0.0002083 | Pa×s | 552.86 | Joback Calculated Property |
| η | 0.0001543 | Pa×s | 598.98 | Joback Calculated Property |
| η | 0.0001194 | Pa×s | 645.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Phenoxyethyl caproate.
Sources
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