Chemical Properties of P-dioxan-2-one (CAS 3041-16-5)

InChI

InChI=1S/C4H6O3/c5-4-3-6-1-2-7-4/h1-3H2

InChI Key

VPVXHAANQNHFSF-UHFFFAOYSA-N

Formula

C4H6O3

SMILES

O=C1COCCO1

Molecular Weight¹

102.09

CAS

3041-16-5

Other Names

• 1,4-Dioxan-2-one
• p-dioxanone

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• 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
ω	0.3705		Relay (1.0) Calculated Property
ΔfG°	-279.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-468.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	[15.70; 16.14]	kJ/mol
ΔfusH°	16.14	kJ/mol	Solubility, Density, and Metastable Zone Width of the (1,4-Dioxan-2-one + Ethyl Acetate) System
ΔfusH°	15.70	kJ/mol	Solubility of Organic Systems Containing 1,4-Dioxan-2-one
ΔvapH°	56.17	kJ/mol	Relay (1.0) Calculated Property
IE	10.09	eV	Relay (1.0) Calculated Property
log10WS	0.66		Relay (1.0) Calculated Property
logPoct/wat	-0.440		Crippen Calculated Property
McVol	69.670	ml/mol	McGowan Calculated Property
Pc	5511.44	kPa	Joback Calculated Property
Tboil	489.91	K	Relay (1.0) Calculated Property
Tc	696.68	K	Relay (1.0) Calculated Property
Tfus	309.65	K	Relay (1.0) Calculated Property
Vc	0.251	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[139.39; 195.35]	J/mol×K	[436.86; 668.81]
Cp,gas	139.39	J/mol×K	436.86	Joback Calculated Property
Cp,gas	149.82	J/mol×K	475.52	Joback Calculated Property
Cp,gas	159.83	J/mol×K	514.18	Joback Calculated Property
Cp,gas	169.41	J/mol×K	552.84	Joback Calculated Property
Cp,gas	178.53	J/mol×K	591.50	Joback Calculated Property
Cp,gas	187.19	J/mol×K	630.16	Joback Calculated Property
Cp,gas	195.35	J/mol×K	668.81	Joback Calculated Property
ΔfusH	[16.14; 16.14]	kJ/mol	[301.70; 301.70]
ΔfusH	16.14	kJ/mol	301.70	NIST
ΔfusH	16.14	kJ/mol	301.70	NIST

Similar Compounds

Find more compounds similar to P-dioxan-2-one.

Mixtures

• P-dioxan-2-one + Ethyl Acetate
• P-dioxan-2-one + Acetone
• P-dioxan-2-one + Tetrahydrofuran
• P-dioxan-2-one + Methyl Alcohol
• P-dioxan-2-one + Ethanol
• P-dioxan-2-one + 1-Propanol
• P-dioxan-2-one + 1-Butanol
• P-dioxan-2-one + 1-Pentanol

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solubility, Density, and Metastable Zone Width of the (1,4-Dioxan-2-one + Ethyl Acetate) System
• Solubility of Organic Systems Containing 1,4-Dioxan-2-one
• Joback Method
• McGowan Method
• NIST Webbook

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