Chemical Properties of 1,3-Dioxane, 2-methyl-

InChI

InChI=1S/C5H10O2/c1-5-6-3-2-4-7-5/h5H,2-4H2,1H3

InChI Key

HDGHQFQMWUTHKL-UHFFFAOYSA-N

Formula

C5H10O2

SMILES

CC1OCCCO1

Molecular Weight¹

102.13

Other Names

• m-Dioxane, 2-methyl-
• 2-Methyl-m-dioxane
• 2-Methyl-1,3-dioxane
• 2-Methyl-1,3-dioxacyclohexane

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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_p : 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
ΔcH°liquid	[-2960.30; -2959.10]	kJ/mol
ΔcH°liquid	-2960.30 ± 2.60	kJ/mol	NIST
ΔcH°liquid	-2959.10 ± 1.00	kJ/mol	NIST
ΔfH°gas	[-399.00; -397.50]	kJ/mol
ΔfH°gas	-397.50 ± 2.80	kJ/mol	NIST
ΔfH°gas	-399.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-436.50 ± 2.60	kJ/mol	NIST
ΔfusH°	16.50	kJ/mol	Joback Calculated Property
ΔvapH°	39.00 ± 1.00	kJ/mol	NIST
IE	10.03	eV	NIST
log10WS	0.17		Relay (1.0) Calculated Property
logPoct/wat	0.769		Crippen Calculated Property
McVol	82.190	ml/mol	McGowan Calculated Property
Pc	4379.97	kPa	Joback Calculated Property
Ip	1044.00		NIST
Tboil	377.65 ± 1.50	K	NIST
Tc	553.28	K	Relay (1.0) Calculated Property
Tfus	208.78	K	Relay (1.0) Calculated Property
Vc	0.308	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor 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	[108.15; 301.40]	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			-3.26200e+01
Coefficient B			5.94920e-01
Coefficient C			-3.01400e-04
Coefficient D			4.05000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	108.15	J/mol×K	273.00	Calculated Property
Cp,gas	141.92	J/mol×K	353.78	Calculated Property
Cp,gas	172.31	J/mol×K	434.56	Calculated Property
Cp,gas	199.46	J/mol×K	515.33	Calculated Property
Cp,gas	223.50	J/mol×K	596.11	Calculated Property
Cp,gas	244.54	J/mol×K	676.89	Calculated Property
Cp,gas	262.73	J/mol×K	757.67	Calculated Property
Cp,gas	278.18	J/mol×K	838.44	Calculated Property
Cp,gas	291.03	J/mol×K	919.22	Calculated Property
Cp,gas	301.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0085183; 0.0003101]	Pa×s	[206.63; 416.30]	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			-1.13437e+01
Coefficient B			1.35925e+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.			206.63
Temperature range, max.			416.30
η	0.0085183	Pa×s	206.63	Calculated Property
η	0.0043740	Pa×s	229.93	Calculated Property
η	0.0025391	Pa×s	253.22	Calculated Property
η	0.0016154	Pa×s	276.52	Calculated Property
η	0.0011025	Pa×s	299.82	Calculated Property
η	0.0007951	Pa×s	323.12	Calculated Property
η	0.0005992	Pa×s	346.41	Calculated Property
η	0.0004679	Pa×s	369.71	Calculated Property
η	0.0003763	Pa×s	393.01	Calculated Property
η	0.0003101	Pa×s	416.30	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dioxane, 2-methyl-.

Sources

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

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