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

InChI

InChI=1S/C11H22O2/c1-4-5-6-7-10-8-9-12-11(2,3)13-10/h10H,4-9H2,1-3H3/t10-/m0/s1

InChI Key

ADNZCWQGZVIHRC-JTQLQIEISA-N

Formula

C11H22O2

SMILES

CCCCCC1CCOC(C)(C)O1

Molecular Weight¹

186.29

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.4549		Relay (... Calculated Property
ΔfG°	-119.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-524.99	kJ/mol	Relay (... Calculated Property
ΔfusH°	26.81	kJ/mol	Joback Calculated Property
ΔvapH°	56.74	kJ/mol	Relay (... Calculated Property
IE	9.41	eV	Relay (... Calculated Property
log10WS	-2.52		Relay (... Calculated Property
logPoct/wat	3.108		Crippen Calculated Property
McVol	166.730	ml/mol	McGowan Calculated Property
Pc	2322.54	kPa	Joback Calculated Property
I	[1429.00; 1429.00]
I	1429.00		NIST
I	1429.00		NIST
Tboil	477.61	K	Relay (... Calculated Property
Tc	658.79	K	Relay (... Calculated Property
Tfus	233.90	K	Relay (... Calculated Property
Vc	0.640	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[416.60; 517.71]	J/mol×K	[520.10; 720.79]
Cp,gas	416.60	J/mol×K	520.10	Joback Calculated Property
Cp,gas	435.80	J/mol×K	553.55	Joback Calculated Property
Cp,gas	453.95	J/mol×K	587.00	Joback Calculated Property
Cp,gas	471.13	J/mol×K	620.44	Joback Calculated Property
Cp,gas	487.42	J/mol×K	653.89	Joback Calculated Property
Cp,gas	502.92	J/mol×K	687.34	Joback Calculated Property
Cp,gas	517.71	J/mol×K	720.79	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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