- InChI
- InChI=1S/C12H24O2/c1-3-5-6-8-11-9-10-13-12(14-11)7-4-2/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1
- InChI Key
- VAJGCFHWSCBHQP-RYUDHWBXSA-N
- Formula
- C12H24O2
- SMILES
- CCCCCC1CCOC(CCC)O1
- Molecular Weight1
- 200.32
- 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 | 0.5132 | Relay (1.0) Calculated Property | |
| ΔfG° | -105.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -509.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.498 | Crippen Calculated Property | |
| McVol | 180.820 | ml/mol | McGowan Calculated Property |
| Pc | 2036.39 | kPa | Joback Calculated Property |
| I | 1649.00 | NIST | |
| Tboil | 508.33 | K | Relay (1.0) Calculated Property |
| Tc | 700.11 | K | Relay (1.0) Calculated Property |
| Tfus | 252.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.688 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [467.04; 572.09] | J/mol×K | [542.74; 733.30] | 
|
| Cp,gas | 467.04 | J/mol×K | 542.74 | Joback Calculated Property |
| Cp,gas | 486.82 | J/mol×K | 574.50 | Joback Calculated Property |
| Cp,gas | 505.66 | J/mol×K | 606.26 | Joback Calculated Property |
| Cp,gas | 523.59 | J/mol×K | 638.02 | Joback Calculated Property |
| Cp,gas | 540.63 | J/mol×K | 669.78 | Joback Calculated Property |
| Cp,gas | 556.79 | J/mol×K | 701.54 | Joback Calculated Property |
| Cp,gas | 572.09 | J/mol×K | 733.30 | Joback Calculated Property |
| η | [0.0002557; 0.0053056] | Pa×s | [281.28; 542.74] |
|
| η | 0.0053056 | Pa×s | 281.28 | Joback Calculated Property |
| η | 0.0022804 | Pa×s | 324.86 | Joback Calculated Property |
| η | 0.0011968 | Pa×s | 368.43 | Joback Calculated Property |
| η | 0.0007199 | Pa×s | 412.01 | Joback Calculated Property |
| η | 0.0004772 | Pa×s | 455.59 | Joback Calculated Property |
| η | 0.0003399 | Pa×s | 499.16 | Joback Calculated Property |
| η | 0.0002557 | Pa×s | 542.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dioxane, 2-propyl-4-pentyl, 2R,4R.
Sources
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