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

• 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_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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
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°	57.68	kJ/mol	Relay (1.0) Calculated Property
IE	10.09	eV	Relay (1.0) Calculated Property
logPoct/wat	-0.440		Crippen Calculated Property
McVol	69.670	ml/mol	McGowan Calculated Property
Pc	4973.33	kPa	Joback Calculated Property
Tboil	489.91	K	Relay (1.0) Calculated Property
Tc	706.68	K	Relay (1.0) Calculated Property
Tfus	301.49	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[130.02; 177.11]	J/mol×K	[391.97; 592.91]
Cp,gas	130.02	J/mol×K	391.97	Joback Calculated Property
Cp,gas	139.09	J/mol×K	425.46	Joback Calculated Property
Cp,gas	147.66	J/mol×K	458.95	Joback Calculated Property
Cp,gas	155.73	J/mol×K	492.44	Joback Calculated Property
Cp,gas	163.31	J/mol×K	525.93	Joback Calculated Property
Cp,gas	170.44	J/mol×K	559.42	Joback Calculated Property
Cp,gas	177.11	J/mol×K	592.91	Joback Calculated Property
η	[0.0004515; 0.0051249]	Pa×s	[222.40; 391.97]
η	0.0051249	Pa×s	222.40	Joback Calculated Property
η	0.0027209	Pa×s	250.66	Joback Calculated Property
η	0.0016424	Pa×s	278.92	Joback Calculated Property
η	0.0010878	Pa×s	307.19	Joback Calculated Property
η	0.0007723	Pa×s	335.45	Joback Calculated Property
η	0.0005783	Pa×s	363.71	Joback Calculated Property
η	0.0004515	Pa×s	391.97	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 + 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
• P-dioxan-2-one + Ethyl Acetate

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

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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