Chemical Properties of 1,3-Dioxane, 2-isopropyl-4-pentyl, 2R,4R

1,3-Dioxane, 2-isopropyl-4-pentyl, 2R,4R

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
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Physical Properties

Property Value Unit Source
ΔfusH° 32.18 kJ/mol Joback Calculated Property
logPoct/wat 3.354 Crippen Calculated Property
McVol 180.820 ml/mol McGowan Calculated Property
I 1565.00 NIST
Tboil 509.35 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [258.60; 669.73] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-3.47260e+01
Coefficient B1.23936e+00
Coefficient C-6.30000e-04
Coefficient D9.51000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 258.60 J/mol×K 273.00 Calculated Property
Cp,gas 329.09 J/mol×K 353.78 Calculated Property
Cp,gas 392.68 J/mol×K 434.56 Calculated Property
Cp,gas 449.66 J/mol×K 515.33 Calculated Property
Cp,gas 500.35 J/mol×K 596.11 Calculated Property
Cp,gas 545.02 J/mol×K 676.89 Calculated Property
Cp,gas 584.00 J/mol×K 757.67 Calculated Property
Cp,gas 617.58 J/mol×K 838.44 Calculated Property
Cp,gas 646.06 J/mol×K 919.22 Calculated Property
Cp,gas 669.73 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0076248; 0.0002851] Pa×s [266.28; 515.94] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.16681e+01
Coefficient B1.80850e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.266.28
Temperature range, max.515.94
η 0.0076248 Pa×s 266.28 Calculated Property
η 0.0040174 Pa×s 294.02 Calculated Property
η 0.0023640 Pa×s 321.76 Calculated Property
η 0.0015132 Pa×s 349.50 Calculated Property
η 0.0010343 Pa×s 377.24 Calculated Property
η 0.0007448 Pa×s 404.98 Calculated Property
η 0.0005594 Pa×s 432.72 Calculated Property
η 0.0004349 Pa×s 460.46 Calculated Property
η 0.0003479 Pa×s 488.20 Calculated Property
η 0.0002851 Pa×s 515.94 Calculated Property

Similar Compounds

1,3-Dioxane, 2-isopropyl-4-pentyl, 2S,4R. 1,3-Dioxane, 2-ethyl-4-pentyl, 2R,4R. 1,3-Dioxane, 2-ethyl-4-pentyl, 2S,4R. 1,3-Dioxane, 2-propyl-4-pentyl, 2R,4R. 1,3-Dioxane, 2-propyl-4-pentyl, 2S,4R. 1,3-Dioxane, 2,4-dipentyl, 2S,4R. 1,3-Dioxane, 2,4-pentyl, 2R,4R. 1,3-Dioxane, 2-(1-methylbutyl)-4-pentyl, 2R,4R. 1,3-Dioxane, 2-(1-methylbutyl)-4-pentyl, 2S,4R. 1,3-Dioxane, 2-isopentyl-4-pentyl, 2S,4R. 1,3-Dioxane, 2-isopentyl-4-pentyl, 2R,4R. 1,3-Dioxane, 2-ethyl-2methyl-4-pentyl, 2R,4R. 1,3-Dioxane, 2-ethyl-2-methyl-4-pentyl, 2S,4R. 1,3-Dioxane, 2,2-dimethyl-4-pentyl, 4R. 1,3-Dioxane, 2-methyl-4-(4-hydroxypentyl), 2R,4R.

Find more compounds similar to 1,3-Dioxane, 2-isopropyl-4-pentyl, 2R,4R.

Sources

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