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

InChI

InChI=1S/C14H28O2/c1-3-5-7-9-13-11-12-15-14(16-13)10-8-6-4-2/h13-14H,3-12H2,1-2H3/t13-,14-/m1/s1

InChI Key

JTGGXBHDIVDFHP-KBPBESRZSA-N

Formula

C14H28O2

SMILES

CCCCC[C@@H]1CCO[C@@H](CCCCC)O1

Molecular Weight¹

228.38

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	40.88	kJ/mol	Joback Calculated Property
ΔvapH°	70.11	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.279		Crippen Calculated Property
McVol	209.000	ml/mol	McGowan Calculated Property
I	[1847.00; 1847.00]
I	1847.00		NIST
I	1847.00		NIST
Tboil	543.40	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, 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	[301.34; 772.38]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.48620e+01
Coefficient B			1.42344e+00
Coefficient C			-7.35600e-04
Coefficient D			1.19400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	301.34	J/mol×K	273.00	Calculated Property
Cp,gas	381.94	J/mol×K	353.78	Calculated Property
Cp,gas	454.59	J/mol×K	434.56	Calculated Property
Cp,gas	519.67	J/mol×K	515.33	Calculated Property
Cp,gas	577.56	J/mol×K	596.11	Calculated Property
Cp,gas	628.64	J/mol×K	676.89	Calculated Property
Cp,gas	673.29	J/mol×K	757.67	Calculated Property
Cp,gas	711.87	J/mol×K	838.44	Calculated Property
Cp,gas	744.78	J/mol×K	919.22	Calculated Property
Cp,gas	772.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047334; 0.0002775]	Pa×s	[303.82; 542.48]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.18010e+01
Coefficient B			1.95900e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			303.82
Temperature range, max.			542.48
η	0.0047334	Pa×s	303.82	Calculated Property
η	0.0028208	Pa×s	330.34	Calculated Property
η	0.0018155	Pa×s	356.86	Calculated Property
η	0.0012419	Pa×s	383.37	Calculated Property
η	0.0008923	Pa×s	409.89	Calculated Property
η	0.0006674	Pa×s	436.41	Calculated Property
η	0.0005161	Pa×s	462.93	Calculated Property
η	0.0004103	Pa×s	489.45	Calculated Property
η	0.0003340	Pa×s	515.96	Calculated Property
η	0.0002775	Pa×s	542.48	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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