Chemical Properties of 1,3-Dioxane, 2-ethyl-2-methyl-4-pentyl, 2S,4R

1,3-Dioxane, 2-ethyl-2-methyl-4-pentyl, 2S,4R

InChI
InChI=1S/C12H24O2/c1-4-6-7-8-11-9-10-13-12(3,5-2)14-11/h11H,4-10H2,1-3H3/t11-,12+/m0/s1
InChI Key
DURNOWZZDBQNIF-NWDGAFQWSA-N
Formula
C12H24O2
SMILES
CCCCCC1CCOC(C)(CC)O1
Molecular Weight1
200.32
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Physical Properties

Property Value Unit Source
ΔfusH° 29.40 kJ/mol Joback Calculated Property
ΔvapH° 62.54 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.498 Crippen Calculated Property
McVol 180.820 ml/mol McGowan Calculated Property
I 1485.00 NIST
Tboil 498.98 K Relay (1.0) Calculated Property
Tfus 227.55 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [466.51; 570.87] J/mol×K [543.18; 741.16] Show Hide
Cp,gas 466.51 J/mol×K 543.18 Joback Calculated Property
Cp,gas 486.23 J/mol×K 576.18 Joback Calculated Property
Cp,gas 504.91 J/mol×K 609.17 Joback Calculated Property
Cp,gas 522.62 J/mol×K 642.17 Joback Calculated Property
Cp,gas 539.46 J/mol×K 675.17 Joback Calculated Property
Cp,gas 555.52 J/mol×K 708.16 Joback Calculated Property
Cp,gas 570.87 J/mol×K 741.16 Joback Calculated Property

Similar Compounds

1,3-Dioxane, 2-ethyl-2methyl-4-pentyl, 2R,4R. 1,3-Dioxane, 2,2-dimethyl-4-pentyl, 4R. 1,3-Dioxane, 2-ethyl-4-pentyl, 2S,4R. 1,3-Dioxane, 2-ethyl-4-pentyl, 2R,4R. 1,3-Dioxane, 2-propyl-4-pentyl, 2R,4R. 1,3-Dioxane, 2-propyl-4-pentyl, 2S,4R. 1,3-Dioxane, 2,4-pentyl, 2R,4R. 1,3-Dioxane, 2,4-dipentyl, 2S,4R. 1,3-Dioxane, 2-isopropyl-4-pentyl, 2R,4R. 1,3-Dioxane, 2-isopropyl-4-pentyl, 2S,4R. 1,6-dioxaspiro [4,5] decane, 7-methyl. Conophthorin. Chalcogran, isomer # 2. Chalcogran, isomer # 1. 1,3-Dioxane, 2-isopentyl-4-pentyl, 2S,4R.

Find more compounds similar to 1,3-Dioxane, 2-ethyl-2-methyl-4-pentyl, 2S,4R.

Sources

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