- InChI
- InChI=1S/C12H24O2/c1-4-5-6-7-11-8-9-13-12(14-11)10(2)3/h10-12H,4-9H2,1-3H3/t11-,12-/m0/s1
- InChI Key
- CBGXGEQERKTMMU-RYUDHWBXSA-N
- Formula
- C12H24O2
- SMILES
- CCCCCC1CCOC(C(C)C)O1
- Molecular Weight1
- 200.32
- 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° | -107.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -526.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.06 | kJ/mol | Joback Calculated Property |
| log10WS | -3.39 | Crippen Calculated Property | |
| logPoct/wat | 3.354 | Crippen Calculated Property | |
| McVol | 180.820 | ml/mol | McGowan Calculated Property |
| Pc | 2051.17 | kPa | Joback Calculated Property |
| I | 1565.00 | NIST | |
| Tboil | 542.30 | K | Joback Calculated Property |
| Tc | 736.78 | K | Joback Calculated Property |
| Tfus | 266.28 | K | Joback Calculated Property |
| Vc | 0.675 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [467.27; 574.46] | J/mol×K | [542.30; 736.78] | 
|
| Cp,gas | 467.27 | J/mol×K | 542.30 | Joback Calculated Property |
| Cp,gas | 487.52 | J/mol×K | 574.71 | Joback Calculated Property |
| Cp,gas | 506.79 | J/mol×K | 607.13 | Joback Calculated Property |
| Cp,gas | 525.09 | J/mol×K | 639.54 | Joback Calculated Property |
| Cp,gas | 542.46 | J/mol×K | 671.96 | Joback Calculated Property |
| Cp,gas | 558.91 | J/mol×K | 704.37 | Joback Calculated Property |
| Cp,gas | 574.46 | J/mol×K | 736.78 | Joback Calculated Property |
| η | [0.0002404; 0.0076248] | Pa×s | [266.28; 542.30] |
|
| η | 0.0076248 | Pa×s | 266.28 | Joback Calculated Property |
| η | 0.0028036 | Pa×s | 312.28 | Joback Calculated Property |
| η | 0.0013328 | Pa×s | 358.29 | Joback Calculated Property |
| η | 0.0007505 | Pa×s | 404.29 | Joback Calculated Property |
| η | 0.0004752 | Pa×s | 450.29 | Joback Calculated Property |
| η | 0.0003275 | Pa×s | 496.30 | Joback Calculated Property |
| η | 0.0002404 | Pa×s | 542.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dioxane, 2-isopropyl-4-pentyl, 2R,4R.
Sources
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