Chemical Properties of 2-Hydroxymethyl-1,3-dioxane (CAS 39239-93-5)

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

CAS

39239-93-5

• 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).
• 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).
• 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	-2773.60 ± 4.90	kJ/mol	NIST
ΔfG°	-293.39	kJ/mol	Joback Calculated Property
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
log10WS	0.14		Crippen Calculated Property
logPoct/wat	-0.258		Crippen Calculated Property
McVol	88.060	ml/mol	McGowan Calculated Property
Pc	4966.33	kPa	Joback Calculated Property
Tboil	479.43	K	Joback Calculated Property
Tc	675.81	K	Joback Calculated Property
Tfus	267.45	K	Joback Calculated Property
Vc	0.309	m3/kmol	Joback Calculated Property

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

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

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