Chemical Properties of 2-Hydroxymethyl-1,3-dioxane

InChI

InChI=1S/C5H10O3/c6-4-5-7-2-1-3-8-5/h5-6H,1-4H2

InChI Key

IEBHUKYDOBADIB-UHFFFAOYSA-N

Formula

C5H10O3

SMILES

OCC1OCCCO1

Molecular Weight¹

118.13

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-2773.60 ± 4.90	kJ/mol	NIST
ΔfH°gas	-554.00 ± 12.00	kJ/mol	NIST
ΔfH°liquid	-623.00 ± 10.00	kJ/mol	NIST
ΔfusH°	20.59	kJ/mol	Joback Calculated Property
ΔvapH°	[69.00; 69.00]	kJ/mol
ΔvapH°	69.00 ± 2.00	kJ/mol	NIST
ΔvapH°	69.00	kJ/mol	NIST
IE	10.13	eV	Relay (1.0) Calculated Property
logPoct/wat	-0.258		Crippen Calculated Property
McVol	88.060	ml/mol	McGowan Calculated Property
Tboil	470.90	K	Relay (1.0) Calculated Property
Tfus	309.87	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[120.66; 320.07]	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			-2.73290e+01
Coefficient B			6.28900e-01
Coefficient C			-3.31800e-04
Coefficient D			5.03000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	120.66	J/mol×K	273.00	Calculated Property
Cp,gas	155.86	J/mol×K	353.78	Calculated Property
Cp,gas	187.43	J/mol×K	434.56	Calculated Property
Cp,gas	215.53	J/mol×K	515.33	Calculated Property
Cp,gas	240.32	J/mol×K	596.11	Calculated Property
Cp,gas	261.94	J/mol×K	676.89	Calculated Property
Cp,gas	280.57	J/mol×K	757.67	Calculated Property
Cp,gas	296.36	J/mol×K	838.44	Calculated Property
Cp,gas	309.48	J/mol×K	919.22	Calculated Property
Cp,gas	320.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0398209; 0.0002666]	Pa×s	[267.45; 473.26]	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			-1.47352e+01
Coefficient B			3.07884e+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.			267.45
Temperature range, max.			473.26
η	0.0398209	Pa×s	267.45	Calculated Property
η	0.0160807	Pa×s	290.32	Calculated Property
η	0.0074132	Pa×s	313.19	Calculated Property
η	0.0037973	Pa×s	336.05	Calculated Property
η	0.0021182	Pa×s	358.92	Calculated Property
η	0.0012672	Pa×s	381.79	Calculated Property
η	0.0008034	Pa×s	404.66	Calculated Property
η	0.0005348	Pa×s	427.53	Calculated Property
η	0.0003710	Pa×s	450.39	Calculated Property
η	0.0002666	Pa×s	473.26	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxymethyl-1,3-dioxane.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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