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	308.59	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[203.46; 261.67]	J/mol×K	[479.43; 675.81]
Cp,gas	203.46	J/mol×K	479.43	Joback Calculated Property
Cp,gas	214.49	J/mol×K	512.16	Joback Calculated Property
Cp,gas	224.98	J/mol×K	544.89	Joback Calculated Property
Cp,gas	234.93	J/mol×K	577.62	Joback Calculated Property
Cp,gas	244.35	J/mol×K	610.35	Joback Calculated Property
Cp,gas	253.26	J/mol×K	643.08	Joback Calculated Property
Cp,gas	261.67	J/mol×K	675.81	Joback Calculated Property
η	[0.0002452; 0.0398209]	Pa×s	[267.45; 479.43]
η	0.0398209	Pa×s	267.45	Joback Calculated Property
η	0.0103930	Pa×s	302.78	Joback Calculated Property
η	0.0035916	Pa×s	338.11	Joback Calculated Property
η	0.0015175	Pa×s	373.44	Joback Calculated Property
η	0.0007442	Pa×s	408.77	Joback Calculated Property
η	0.0004087	Pa×s	444.10	Joback Calculated Property
η	0.0002452	Pa×s	479.43	Joback 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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