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

1,3-Dioxane, 2-isopentyl-4-pentyl, 2S,4R

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+/m1/s1
InChI Key
RWRVUPMMCZMDPW-UONOGXRCSA-N
Formula
C14H28O2
SMILES
CCCCC[C@@H]1CCO[C@H](CCC(C)C)O1
Molecular Weight1
228.38
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Physical Properties

Property Value Unit Source
ΔfusH° 37.36 kJ/mol Joback Calculated Property
logPoct/wat 4.135 Crippen Calculated Property
McVol 209.000 ml/mol McGowan Calculated Property
I [1606.00; 1606.00]   Show Hide
I 1606.00 NIST
I 1606.00 NIST
Tboil 535.22 K Relay (1.0) Calculated Property

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [301.03; 772.92] 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-3.65440e+01
Coefficient B1.42936e+00
Coefficient C-7.38800e-04
Coefficient D1.18900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 301.03 J/mol×K 273.00 Calculated Property
Cp,gas 381.93 J/mol×K 353.78 Calculated Property
Cp,gas 454.84 J/mol×K 434.56 Calculated Property
Cp,gas 520.12 J/mol×K 515.33 Calculated Property
Cp,gas 578.17 J/mol×K 596.11 Calculated Property
Cp,gas 629.35 J/mol×K 676.89 Calculated Property
Cp,gas 674.03 J/mol×K 757.67 Calculated Property
Cp,gas 712.61 J/mol×K 838.44 Calculated Property
Cp,gas 745.44 J/mol×K 919.22 Calculated Property
Cp,gas 772.92 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0065960; 0.0002565] Pa×s [288.82; 544.62] 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-1.19350e+01
Coefficient B1.99682e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.288.82
Temperature range, max.544.62
η 0.0065960 Pa×s 288.82 Calculated Property
η 0.0035504 Pa×s 317.24 Calculated Property
η 0.0021160 Pa×s 345.66 Calculated Property
η 0.0013643 Pa×s 374.09 Calculated Property
η 0.0009358 Pa×s 402.51 Calculated Property
η 0.0006747 Pa×s 430.93 Calculated Property
η 0.0005065 Pa×s 459.35 Calculated Property
η 0.0003932 Pa×s 487.77 Calculated Property
η 0.0003138 Pa×s 516.20 Calculated Property
η 0.0002565 Pa×s 544.62 Calculated Property

Similar Compounds

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

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

Sources

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