- InChI
- InChI=1S/C14H28O2/c1-4-5-6-7-13-10-11-15-14(16-13)9-8-12(2)3/h12-14H,4-11H2,1-3H3/t13-,14+/m0/s1
- InChI Key
- RWRVUPMMCZMDPW-UONOGXRCSA-N
- Formula
- C14H28O2
- SMILES
- CCCCCC1CCOC(CCC(C)C)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 | 0.5559 | Relay (... Calculated Property | |
| ΔfG° | -90.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -565.16 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 37.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.14 | kJ/mol | Relay (... Calculated Property |
| IE | 9.56 | eV | Relay (... Calculated Property |
| log10WS | -3.91 | Relay (... Calculated Property | |
| logPoct/wat | 4.135 | Crippen Calculated Property | |
| McVol | 209.000 | ml/mol | McGowan Calculated Property |
| Pc | 1736.11 | kPa | Joback Calculated Property |
| I | [1606.00; 1606.00] |
|
|
| I | 1606.00 | NIST | |
| I | 1606.00 | NIST | |
| Tboil | 540.90 | K | Relay (... Calculated Property |
| Tc | 722.66 | K | Relay (... Calculated Property |
| Tfus | 256.96 | K | Relay (... Calculated Property |
| Vc | 0.791 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [572.70; 684.19] | J/mol×K | [588.06; 777.76] |
|
| Cp,gas | 572.70 | J/mol×K | 588.06 | Joback Calculated Property |
| Cp,gas | 593.79 | J/mol×K | 619.68 | Joback Calculated Property |
| Cp,gas | 613.85 | J/mol×K | 651.29 | Joback Calculated Property |
| Cp,gas | 632.90 | J/mol×K | 682.91 | Joback Calculated Property |
| Cp,gas | 650.95 | J/mol×K | 714.53 | Joback Calculated Property |
| Cp,gas | 668.04 | J/mol×K | 746.14 | Joback Calculated Property |
| Cp,gas | 684.19 | J/mol×K | 777.76 | Joback Calculated Property |
| η | [0.0001956; 0.0065960] | Pa×s | [288.82; 588.06] |
|
| η | 0.0065960 | Pa×s | 288.82 | Joback Calculated Property |
| η | 0.0023831 | Pa×s | 338.69 | Joback Calculated Property |
| η | 0.0011182 | Pa×s | 388.57 | Joback Calculated Property |
| η | 0.0006232 | Pa×s | 438.44 | Joback Calculated Property |
| η | 0.0003914 | Pa×s | 488.31 | Joback Calculated Property |
| η | 0.0002679 | Pa×s | 538.19 | Joback Calculated Property |
| η | 0.0001956 | Pa×s | 588.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dioxane, 2-isopentyl-4-pentyl, 2S,4R.
Sources
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