Chemical Properties of 1,3-Dioxane (CAS 505-22-6)

InChI

InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2

InChI Key

VDFVNEFVBPFDSB-UHFFFAOYSA-N

Formula

C4H8O2

SMILES

C1COCOC1

Molecular Weight¹

88.11

CAS

505-22-6

Other Names

• 1,3-Dioxacyclohexane
• 1,3-Propanediol formal
• m-Dioxane
• m-Dioxin, dihydro-

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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
PAff	825.40	kJ/mol	NIST
BasG	796.20	kJ/mol	NIST
ΔfG°	-157.28	kJ/mol	Joback Calculated Property
ΔfH°gas	[-350.00; -338.40]	kJ/mol
ΔfH°gas	-338.40 ± 1.10	kJ/mol	NIST
ΔfH°gas	-349.60	kJ/mol	NIST
ΔfH°gas	-350.00 ± 2.00	kJ/mol	NIST
ΔfH°gas	-341.00 ± 2.00	kJ/mol	NIST
ΔfH°liquid	[-385.00; -376.60]	kJ/mol
ΔfH°liquid	-377.50 ± 1.10	kJ/mol	NIST
ΔfH°liquid	-384.60 ± 1.80	kJ/mol	NIST
ΔfH°liquid	-385.00 ± 1.00	kJ/mol	NIST
ΔfH°liquid	-376.60 ± 0.84	kJ/mol	NIST
ΔfusH°	12.84	kJ/mol	Joback Calculated Property
ΔvapH°	[35.00; 39.10]	kJ/mol
ΔvapH°	39.09 ± 0.05	kJ/mol	NIST
ΔvapH°	39.10	kJ/mol	NIST
ΔvapH°	39.10 ± 0.10	kJ/mol	NIST
ΔvapH°	35.00	kJ/mol	NIST
ΔvapH°	35.60	kJ/mol	NIST
ΔvapH°	36.00 ± 0.80	kJ/mol	NIST
IE	[10.10; 10.33]	eV
IE	10.33	eV	NIST
IE	10.12	eV	NIST
IE	10.12	eV	NIST
IE	10.10	eV	NIST
log10WS	-0.06		Crippen Calculated Property
logPoct/wat	0.381		Crippen Calculated Property
McVol	68.100	ml/mol	McGowan Calculated Property
Pc	5235.81	kPa	Joback Calculated Property
Inp	[701.00; 720.00]
Inp	701.00		NIST
Inp	720.00		NIST
Inp	707.00		NIST
Tboil	378.70	K	NIST
Tc	578.47	K	Joback Calculated Property
Tfus	199.60	K	Joback Calculated Property
Vc	0.235	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[118.28; 176.66]	J/mol×K	[369.04; 578.47]
Cp,gas	118.28	J/mol×K	369.04	Joback Calculated Property
Cp,gas	129.39	J/mol×K	403.94	Joback Calculated Property
Cp,gas	139.92	J/mol×K	438.85	Joback Calculated Property
Cp,gas	149.90	J/mol×K	473.75	Joback Calculated Property
Cp,gas	159.34	J/mol×K	508.66	Joback Calculated Property
Cp,gas	168.26	J/mol×K	543.56	Joback Calculated Property
Cp,gas	176.66	J/mol×K	578.47	Joback Calculated Property
Cp,liquid	143.90	J/mol×K	298.00	NIST
η	[0.0004429; 0.0143730]	Pa×s	[199.60; 369.04]
η	0.0143730	Pa×s	199.60	Joback Calculated Property
η	0.0056179	Pa×s	227.84	Joback Calculated Property
η	0.0027013	Pa×s	256.08	Joback Calculated Property
η	0.0015023	Pa×s	284.32	Joback Calculated Property
η	0.0009289	Pa×s	312.56	Joback Calculated Property
η	0.0006220	Pa×s	340.80	Joback Calculated Property
η	0.0004429	Pa×s	369.04	Joback Calculated Property
ΔvapH	39.00	kJ/mol	293.00	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[273.93; 403.98]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52109e+01
Coefficient B			-3.82420e+03
Coefficient C			-1.76730e+01
Temperature range, min.			273.93
Temperature range, max.			403.98
Pvap	1.33	kPa	273.93	Calculated Property
Pvap	2.96	kPa	288.38	Calculated Property
Pvap	6.05	kPa	302.83	Calculated Property
Pvap	11.55	kPa	317.28	Calculated Property
Pvap	20.78	kPa	331.73	Calculated Property
Pvap	35.51	kPa	346.18	Calculated Property
Pvap	57.99	kPa	360.63	Calculated Property
Pvap	91.02	kPa	375.08	Calculated Property
Pvap	137.94	kPa	389.53	Calculated Property
Pvap	202.66	kPa	403.98	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dioxane.

Mixtures

• 1,3-Dioxane + Water
• 1,3-Dioxane + 1-Octanol

Sources

• Crippen Method
• Crippen Method
• Henry s Law Constants of Organic Compounds in Water and n-Octane at T = 293.2 K
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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