- InChI
- InChI=1S/C14H26O2/c1-4-5-6-7-13-10-11-15-14(16-13)9-8-12(2)3/h5-6,12-14H,4,7-11H2,1-3H3/b6-5+/t13-,14+/m0/s1
- InChI Key
- LZKQPIVTALJJKY-BUHQSOCUSA-N
- Formula
- C14H26O2
- SMILES
- CCC=CCC1CCOC(CCC(C)C)O1
- Molecular Weight1
- 226.35
- 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).
- 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).
- I : 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 |
|---|---|---|---|
| ΔfG° | -10.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -450.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.47 | kJ/mol | Joback Calculated Property |
| log10WS | -4.08 | Crippen Calculated Property | |
| logPoct/wat | 3.910 | Crippen Calculated Property | |
| McVol | 204.700 | ml/mol | McGowan Calculated Property |
| Pc | 1813.86 | kPa | Joback Calculated Property |
| I | [1663.00; 1663.00] |
|
|
| I | 1663.00 | NIST | |
| I | 1663.00 | NIST | |
| Tboil | 592.22 | K | Joback Calculated Property |
| Tc | 789.59 | K | Joback Calculated Property |
| Tfus | 283.74 | K | Joback Calculated Property |
| Vc | 0.767 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [553.65; 662.69] | J/mol×K | [592.22; 789.59] |
|
| Cp,gas | 553.65 | J/mol×K | 592.22 | Joback Calculated Property |
| Cp,gas | 574.47 | J/mol×K | 625.11 | Joback Calculated Property |
| Cp,gas | 594.18 | J/mol×K | 658.01 | Joback Calculated Property |
| Cp,gas | 612.82 | J/mol×K | 690.90 | Joback Calculated Property |
| Cp,gas | 630.43 | J/mol×K | 723.80 | Joback Calculated Property |
| Cp,gas | 647.04 | J/mol×K | 756.69 | Joback Calculated Property |
| Cp,gas | 662.69 | J/mol×K | 789.59 | Joback Calculated Property |
| η | [0.0001669; 0.0062441] | Pa×s | [283.74; 592.22] |
|
| η | 0.0062441 | Pa×s | 283.74 | Joback Calculated Property |
| η | 0.0021488 | Pa×s | 335.15 | Joback Calculated Property |
| η | 0.0009821 | Pa×s | 386.57 | Joback Calculated Property |
| η | 0.0005394 | Pa×s | 437.98 | Joback Calculated Property |
| η | 0.0003361 | Pa×s | 489.39 | Joback Calculated Property |
| η | 0.0002291 | Pa×s | 540.81 | Joback Calculated Property |
| η | 0.0001669 | Pa×s | 592.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dioxane, 2-isopentyl-4-(2-pentenyl), 2S,4R.
Sources
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