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
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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[93.44; 228.18]	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			-1.93200e+01
Coefficient B			4.93800e-01
Coefficient C			-3.14500e-04
Coefficient D			6.82000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	93.44	J/mol×K	273.00	Calculated Property
Cp,gas	119.03	J/mol×K	353.78	Calculated Property
Cp,gas	141.47	J/mol×K	434.56	Calculated Property
Cp,gas	160.96	J/mol×K	515.33	Calculated Property
Cp,gas	177.73	J/mol×K	596.11	Calculated Property
Cp,gas	191.98	J/mol×K	676.89	Calculated Property
Cp,gas	203.94	J/mol×K	757.67	Calculated Property
Cp,gas	213.81	J/mol×K	838.44	Calculated Property
Cp,gas	221.82	J/mol×K	919.22	Calculated Property
Cp,gas	228.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0051249; 0.0003782]	Pa×s	[222.40; 415.04]	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			-1.08892e+01
Coefficient B			1.24889e+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.			222.40
Temperature range, max.			415.04
η	0.0051249	Pa×s	222.40	Calculated Property
η	0.0031303	Pa×s	243.80	Calculated Property
η	0.0020703	Pa×s	265.21	Calculated Property
η	0.0014565	Pa×s	286.61	Calculated Property
η	0.0010760	Pa×s	308.02	Calculated Property
η	0.0008268	Pa×s	329.42	Calculated Property
η	0.0006560	Pa×s	350.82	Calculated Property
η	0.0005346	Pa×s	372.23	Calculated Property
η	0.0004455	Pa×s	393.63	Calculated Property
η	0.0003782	Pa×s	415.04	Calculated Property

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

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