- InChI
- InChI=1S/C15H30O3/c1-7-8-17-11-13(3)18-14(16)9-12(2)10-15(4,5)6/h12-13H,7-11H2,1-6H3
- InChI Key
- UWUZSZNNQJCARS-UHFFFAOYSA-N
- Formula
- C15H30O3
- SMILES
- CCCOCC(C)OC(=O)CC(C)CC(C)(C)C
- Molecular Weight1
- 258.40
- 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 | 0.6635 | Relay (... Calculated Property | |
| ΔfG° | -265.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -845.98 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 24.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.02 | kJ/mol | Relay (... Calculated Property |
| IE | 9.52 | eV | Relay (... Calculated Property |
| log10WS | -3.87 | Relay (... Calculated Property | |
| logPoct/wat | 3.807 | Crippen Calculated Property | |
| McVol | 235.520 | ml/mol | McGowan Calculated Property |
| Pc | 1486.14 | kPa | Joback Calculated Property |
| Inp | [1521.00; 1521.00] |
|
|
| Inp | 1521.00 | NIST | |
| Inp | 1521.00 | NIST | |
| Tboil | 513.57 | K | Relay (... Calculated Property |
| Tc | 698.14 | K | Relay (... Calculated Property |
| Tfus | 233.03 | K | Relay (... Calculated Property |
| Vc | 0.861 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [654.23; 751.66] | J/mol×K | [637.20; 817.10] |
|
| Cp,gas | 654.23 | J/mol×K | 637.20 | Joback Calculated Property |
| Cp,gas | 672.61 | J/mol×K | 667.18 | Joback Calculated Property |
| Cp,gas | 690.11 | J/mol×K | 697.17 | Joback Calculated Property |
| Cp,gas | 706.74 | J/mol×K | 727.15 | Joback Calculated Property |
| Cp,gas | 722.53 | J/mol×K | 757.14 | Joback Calculated Property |
| Cp,gas | 737.50 | J/mol×K | 787.12 | Joback Calculated Property |
| Cp,gas | 751.66 | J/mol×K | 817.10 | Joback Calculated Property |
| η | [0.0000804; 0.0035901] | Pa×s | [325.62; 637.20] |
|
| η | 0.0035901 | Pa×s | 325.62 | Joback Calculated Property |
| η | 0.0012334 | Pa×s | 377.55 | Joback Calculated Property |
| η | 0.0005486 | Pa×s | 429.48 | Joback Calculated Property |
| η | 0.0002907 | Pa×s | 481.41 | Joback Calculated Property |
| η | 0.0001743 | Pa×s | 533.34 | Joback Calculated Property |
| η | 0.0001144 | Pa×s | 585.27 | Joback Calculated Property |
| η | 0.0000804 | Pa×s | 637.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propoxypropan-2-yl 3,5,5-trimethylhexanoate.
Sources
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