Chemical Properties of 1,3-Dioxane, 4-methyl- (CAS 1120-97-4)

InChI

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

InChI Key

INCCMBMMWVKEGJ-UHFFFAOYSA-N

Formula

C5H10O2

SMILES

CC1CCOCO1

Molecular Weight¹

102.13

CAS

1120-97-4

Other Names

• m-Dioxane, 4-methyl-
• 4-Methyl-m-dioxane
• 4-Methyl-1,3-dioxane

• 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_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).
• I_np : Non-polar retention indices.
• 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
ΔcH°liquid	[-2980.60; -2970.00]	kJ/mol
ΔcH°liquid	-2980.60 ± 2.90	kJ/mol	NIST
ΔcH°liquid	-2979.10 ± 0.30	kJ/mol	NIST
ΔcH°liquid	-2970.00 ± 0.80	kJ/mol	NIST
ΔfG°	-156.57	kJ/mol	Joback Calculated Property
ΔfH°gas	[-378.40; -376.90]	kJ/mol
ΔfH°gas	-376.90	kJ/mol	NIST
ΔfH°gas	-378.40 ± 1.90	kJ/mol	NIST
ΔfH°liquid	[-417.60; -416.10]	kJ/mol
ΔfH°liquid	-416.10 ± 2.90	kJ/mol	NIST
ΔfH°liquid	-417.60 ± 0.63	kJ/mol	NIST
ΔfusH°	16.50	kJ/mol	Joback Calculated Property
ΔvapH°	[39.00; 39.20]	kJ/mol
ΔvapH°	39.00 ± 1.00	kJ/mol	NIST
ΔvapH°	39.20	kJ/mol	NIST
IE	10.04	eV	NIST
log10WS	-0.59		Crippen Calculated Property
logPoct/wat	0.769		Crippen Calculated Property
McVol	82.190	ml/mol	McGowan Calculated Property
Pc	4379.97	kPa	Joback Calculated Property
Inp	[747.00; 777.00]
Inp	777.00		NIST
Inp	747.00		NIST
Inp	772.00		NIST
Inp	754.00		NIST
Inp	777.00		NIST
Inp	777.00		NIST
Inp	754.00		NIST
I	[1128.00; 1128.00]
I	1128.00		NIST
I	1128.00		NIST
Tboil	[385.50; 387.20]	K
Tboil	387.20	K	NIST
Tboil	385.50 ± 2.50	K	NIST
Tboil	387.15 ± 1.50	K	NIST
Tc	594.41	K	Joback Calculated Property
Tfus	206.63	K	Joback Calculated Property
Vc	0.290	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[154.92; 223.02]	J/mol×K	[387.25; 594.41]
Cp,gas	154.92	J/mol×K	387.25	Joback Calculated Property
Cp,gas	167.72	J/mol×K	421.78	Joback Calculated Property
Cp,gas	179.94	J/mol×K	456.30	Joback Calculated Property
Cp,gas	191.56	J/mol×K	490.83	Joback Calculated Property
Cp,gas	202.61	J/mol×K	525.36	Joback Calculated Property
Cp,gas	213.09	J/mol×K	559.89	Joback Calculated Property
Cp,gas	223.02	J/mol×K	594.41	Joback Calculated Property
η	[0.0003961; 0.0085183]	Pa×s	[206.63; 387.25]
η	0.0085183	Pa×s	206.63	Joback Calculated Property
η	0.0036904	Pa×s	236.73	Joback Calculated Property
η	0.0019309	Pa×s	266.84	Joback Calculated Property
η	0.0011521	Pa×s	296.94	Joback Calculated Property
η	0.0007559	Pa×s	327.04	Joback Calculated Property
η	0.0005325	Pa×s	357.15	Joback Calculated Property
η	0.0003961	Pa×s	387.25	Joback Calculated Property
ΔvapH	43.70 ± 0.30	kJ/mol	293.00	NIST

Similar Compounds

Find more compounds similar to 1,3-Dioxane, 4-methyl-.

Sources

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

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