- InChI
- InChI=1S/C14H26O2/c1-3-5-7-9-13-11-12-15-14(16-13)10-8-6-4-2/h5,7,13-14H,3-4,6,8-12H2,1-2H3/b7-5+/t13-,14+/m0/s1
- InChI Key
- APHDLHYMVGZKIB-CXSYMGSUSA-N
- Formula
- C14H26O2
- SMILES
- CCC=CCC1CCOC(CCCCC)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° | -8.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -445.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.86 | kJ/mol | Joback Calculated Property |
| log10WS | -4.32 | Crippen Calculated Property | |
| logPoct/wat | 4.055 | Crippen Calculated Property | |
| McVol | 204.700 | ml/mol | McGowan Calculated Property |
| Pc | 1801.56 | kPa | Joback Calculated Property |
| I | [1834.00; 1834.00] |
|
|
| I | 1834.00 | NIST | |
| I | 1834.00 | NIST | |
| Tboil | 592.66 | K | Joback Calculated Property |
| Tc | 786.28 | K | Joback Calculated Property |
| Tfus | 298.74 | K | Joback Calculated Property |
| Vc | 0.773 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [553.34; 660.40] | J/mol×K | [592.66; 786.28] |
|
| Cp,gas | 553.34 | J/mol×K | 592.66 | Joback Calculated Property |
| Cp,gas | 573.71 | J/mol×K | 624.93 | Joback Calculated Property |
| Cp,gas | 593.02 | J/mol×K | 657.20 | Joback Calculated Property |
| Cp,gas | 611.32 | J/mol×K | 689.47 | Joback Calculated Property |
| Cp,gas | 628.62 | J/mol×K | 721.74 | Joback Calculated Property |
| Cp,gas | 644.97 | J/mol×K | 754.01 | Joback Calculated Property |
| Cp,gas | 660.40 | J/mol×K | 786.28 | Joback Calculated Property |
| η | [0.0001786; 0.0044366] | Pa×s | [298.74; 592.66] |
|
| η | 0.0044366 | Pa×s | 298.74 | Joback Calculated Property |
| η | 0.0017812 | Pa×s | 347.73 | Joback Calculated Property |
| η | 0.0008959 | Pa×s | 396.71 | Joback Calculated Property |
| η | 0.0005241 | Pa×s | 445.70 | Joback Calculated Property |
| η | 0.0003409 | Pa×s | 494.69 | Joback Calculated Property |
| η | 0.0002397 | Pa×s | 543.67 | Joback Calculated Property |
| η | 0.0001786 | Pa×s | 592.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dioxane, 2-pentyl-4-(2-pentenyl), 2S,4R.
Sources
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