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

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

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
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Physical Properties

Property Value Unit Source
ΔfusH° 35.70 kJ/mol Joback Calculated Property
logPoct/wat 3.498 Crippen Calculated Property
McVol 180.820 ml/mol McGowan Calculated Property
I 1649.00 NIST
Tboil 508.33 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 [258.92; 669.20] 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-3.30440e+01
Coefficient B1.23344e+00
Coefficient C-6.26800e-04
Coefficient D9.56000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 258.92 J/mol×K 273.00 Calculated Property
Cp,gas 329.10 J/mol×K 353.78 Calculated Property
Cp,gas 392.44 J/mol×K 434.56 Calculated Property
Cp,gas 449.21 J/mol×K 515.33 Calculated Property
Cp,gas 499.74 J/mol×K 596.11 Calculated Property
Cp,gas 544.32 J/mol×K 676.89 Calculated Property
Cp,gas 583.25 J/mol×K 757.67 Calculated Property
Cp,gas 616.84 J/mol×K 838.44 Calculated Property
Cp,gas 645.39 J/mol×K 919.22 Calculated Property
Cp,gas 669.20 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0053056; 0.0003079] Pa×s [281.28; 513.50] 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-1.15341e+01
Coefficient B1.77068e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.281.28
Temperature range, max.513.50
η 0.0053056 Pa×s 281.28 Calculated Property
η 0.0031262 Pa×s 307.08 Calculated Property
η 0.0019995 Pa×s 332.88 Calculated Property
η 0.0013638 Pa×s 358.69 Calculated Property
η 0.0009792 Pa×s 384.49 Calculated Property
η 0.0007330 Pa×s 410.29 Calculated Property
η 0.0005678 Pa×s 436.09 Calculated Property
η 0.0004526 Pa×s 461.90 Calculated Property
η 0.0003695 Pa×s 487.70 Calculated Property
η 0.0003079 Pa×s 513.50 Calculated Property

Similar Compounds

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

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

Sources

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