- InChI
- InChI=1S/C14H28O2/c1-3-5-7-9-13-11-12-15-14(16-13)10-8-6-4-2/h13-14H,3-12H2,1-2H3/t13-,14-/m0/s1
- InChI Key
- JTGGXBHDIVDFHP-KBPBESRZSA-N
- Formula
- C14H28O2
- SMILES
- CCCCCC1CCOC(CCCCC)O1
- Molecular Weight1
- 228.37
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5919 | Relay (1.0) Calculated Property | |
| ΔfG° | -88.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -551.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.279 | Crippen Calculated Property | |
| McVol | 209.000 | ml/mol | McGowan Calculated Property |
| Pc | 1724.59 | kPa | Joback Calculated Property |
| I | [1847.00; 1847.00] |
|
|
| I | 1847.00 | NIST | |
| I | 1847.00 | NIST | |
| Tboil | 542.87 | K | Relay (1.0) Calculated Property |
| Tc | 733.70 | K | Relay (1.0) Calculated Property |
| Tfus | 268.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.801 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [572.41; 681.92] | J/mol×K | [588.50; 774.71] |
|
| Cp,gas | 572.41 | J/mol×K | 588.50 | Joback Calculated Property |
| Cp,gas | 593.06 | J/mol×K | 619.54 | Joback Calculated Property |
| Cp,gas | 612.73 | J/mol×K | 650.57 | Joback Calculated Property |
| Cp,gas | 631.42 | J/mol×K | 681.61 | Joback Calculated Property |
| Cp,gas | 649.17 | J/mol×K | 712.64 | Joback Calculated Property |
| Cp,gas | 666.00 | J/mol×K | 743.68 | Joback Calculated Property |
| Cp,gas | 681.92 | J/mol×K | 774.71 | Joback Calculated Property |
| η | [0.0002092; 0.0047334] | Pa×s | [303.82; 588.50] |
|
| η | 0.0047334 | Pa×s | 303.82 | Joback Calculated Property |
| η | 0.0019812 | Pa×s | 351.27 | Joback Calculated Property |
| η | 0.0010203 | Pa×s | 398.71 | Joback Calculated Property |
| η | 0.0006050 | Pa×s | 446.16 | Joback Calculated Property |
| η | 0.0003967 | Pa×s | 493.61 | Joback Calculated Property |
| η | 0.0002801 | Pa×s | 541.05 | Joback Calculated Property |
| η | 0.0002092 | Pa×s | 588.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dioxane, 2,4-pentyl, 2R,4R.
Sources
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