- InChI
- InChI=1S/C15H22O3/c1-11(2)10-17-14(16)18-13-8-6-12(7-9-13)15(3,4)5/h6-9,11H,10H2,1-5H3
- InChI Key
- FEAHIYSSAKYIDE-UHFFFAOYSA-N
- Formula
- C15H22O3
- SMILES
-
CC(C)COC(=O)Oc1ccc(C(C)(C)C)cc
1 - Molecular Weight1
- 250.33
- 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 | 0.6843 | Relay (1.0) Calculated Property | |
| ΔfG° | -160.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -612.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.155 | Crippen Calculated Property | |
| McVol | 211.760 | ml/mol | McGowan Calculated Property |
| Pc | 1913.58 | kPa | Joback Calculated Property |
| Inp | 1727.00 | NIST | |
| Tboil | 560.12 | K | Relay (1.0) Calculated Property |
| Tc | 748.37 | K | Relay (1.0) Calculated Property |
| Tfus | 288.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.785 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [577.18; 664.87] | J/mol×K | [669.30; 879.92] | 
|
| Cp,gas | 577.18 | J/mol×K | 669.30 | Joback Calculated Property |
| Cp,gas | 594.37 | J/mol×K | 704.40 | Joback Calculated Property |
| Cp,gas | 610.49 | J/mol×K | 739.51 | Joback Calculated Property |
| Cp,gas | 625.57 | J/mol×K | 774.61 | Joback Calculated Property |
| Cp,gas | 639.64 | J/mol×K | 809.71 | Joback Calculated Property |
| Cp,gas | 652.73 | J/mol×K | 844.82 | Joback Calculated Property |
| Cp,gas | 664.87 | J/mol×K | 879.92 | Joback Calculated Property |
| η | [0.0000836; 0.0014048] | Pa×s | [379.56; 669.30] |
|
| η | 0.0014048 | Pa×s | 379.56 | Joback Calculated Property |
| η | 0.0006732 | Pa×s | 427.85 | Joback Calculated Property |
| η | 0.0003745 | Pa×s | 476.14 | Joback Calculated Property |
| η | 0.0002321 | Pa×s | 524.43 | Joback Calculated Property |
| η | 0.0001560 | Pa×s | 572.72 | Joback Calculated Property |
| η | 0.0001115 | Pa×s | 621.01 | Joback Calculated Property |
| η | 0.0000836 | Pa×s | 669.30 | Joback Calculated Property |
Similar Compounds
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Sources
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