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

InChI

InChI=1S/C14H28O2/c1-4-6-7-9-13-10-11-15-14(16-13)12(3)8-5-2/h12-14H,4-11H2,1-3H3/t12?,13-,14-/m0/s1

InChI Key

SOAGWVHVXXGBSI-TTZKSVMKSA-N

Formula

C14H28O2

SMILES

CCCCCC1CCOC(C(C)CCC)O1

Molecular Weight¹

228.37

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-90.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-567.59	kJ/mol	Joback Calculated Property
ΔfusH°	37.36	kJ/mol	Joback Calculated Property
ΔvapH°	55.51	kJ/mol	Joback Calculated Property
log10WS	-4.23		Crippen Calculated Property
logPoct/wat	4.135		Crippen Calculated Property
McVol	209.000	ml/mol	McGowan Calculated Property
Pc	1736.11	kPa	Joback Calculated Property
I	[1660.00; 1660.00]
I	1660.00		NIST
I	1660.00		NIST
Tboil	588.06	K	Joback Calculated Property
Tc	777.76	K	Joback Calculated Property
Tfus	288.82	K	Joback Calculated Property
Vc	0.787	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[572.70; 684.19]	J/mol×K	[588.06; 777.76]
Cp,gas	572.70	J/mol×K	588.06	Joback Calculated Property
Cp,gas	593.79	J/mol×K	619.68	Joback Calculated Property
Cp,gas	613.85	J/mol×K	651.29	Joback Calculated Property
Cp,gas	632.90	J/mol×K	682.91	Joback Calculated Property
Cp,gas	650.95	J/mol×K	714.53	Joback Calculated Property
Cp,gas	668.04	J/mol×K	746.14	Joback Calculated Property
Cp,gas	684.19	J/mol×K	777.76	Joback Calculated Property
η	[0.0001956; 0.0065960]	Pa×s	[288.82; 588.06]
η	0.0065960	Pa×s	288.82	Joback Calculated Property
η	0.0023831	Pa×s	338.69	Joback Calculated Property
η	0.0011182	Pa×s	388.57	Joback Calculated Property
η	0.0006232	Pa×s	438.44	Joback Calculated Property
η	0.0003914	Pa×s	488.31	Joback Calculated Property
η	0.0002679	Pa×s	538.19	Joback Calculated Property
η	0.0001956	Pa×s	588.06	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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