- InChI
- InChI=1S/C17H26O2/c1-12(2)10-15-6-8-16(9-7-15)14(5)17(18)19-11-13(3)4/h6-9,12-14H,10-11H2,1-5H3
- InChI Key
- IZQZIVHKRMBEMV-UHFFFAOYSA-N
- Formula
- C17H26O2
- SMILES
-
CC(C)COC(=O)C(C)c1ccc(CC(C)C)c
c1 - Molecular Weight1
- 262.39
- 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 | 0.6589 | Relay (1.0) Calculated Property | |
| ΔfG° | -46.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -524.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.188 | Crippen Calculated Property | |
| McVol | 234.070 | ml/mol | McGowan Calculated Property |
| Pc | 1647.09 | kPa | Joback Calculated Property |
| Inp | [1428.00; 1428.00] |
|
|
| Inp | 1428.00 | NIST | |
| Inp | 1428.00 | NIST | |
| Tboil | 571.47 | K | Relay (1.0) Calculated Property |
| Tc | 774.33 | K | Relay (1.0) Calculated Property |
| Tfus | 290.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.860 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [656.04; 750.13] | J/mol×K | [694.99; 898.84] |
|
| Cp,gas | 656.04 | J/mol×K | 694.99 | Joback Calculated Property |
| Cp,gas | 674.33 | J/mol×K | 728.96 | Joback Calculated Property |
| Cp,gas | 691.53 | J/mol×K | 762.94 | Joback Calculated Property |
| Cp,gas | 707.68 | J/mol×K | 796.91 | Joback Calculated Property |
| Cp,gas | 722.81 | J/mol×K | 830.89 | Joback Calculated Property |
| Cp,gas | 736.95 | J/mol×K | 864.86 | Joback Calculated Property |
| Cp,gas | 750.13 | J/mol×K | 898.84 | Joback Calculated Property |
| η | [0.0000855; 0.0026098] | Pa×s | [347.45; 694.99] |
|
| η | 0.0026098 | Pa×s | 347.45 | Joback Calculated Property |
| η | 0.0009827 | Pa×s | 405.37 | Joback Calculated Property |
| η | 0.0004724 | Pa×s | 463.30 | Joback Calculated Property |
| η | 0.0002672 | Pa×s | 521.22 | Joback Calculated Property |
| η | 0.0001694 | Pa×s | 579.14 | Joback Calculated Property |
| η | 0.0001167 | Pa×s | 637.07 | Joback Calculated Property |
| η | 0.0000855 | Pa×s | 694.99 | Joback Calculated Property |
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Sources
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