Chemical Properties of 1,3,5,7-Tetroxane (CAS 293-30-1)

InChI

InChI=1S/C4H8O4/c1-5-2-7-4-8-3-6-1/h1-4H2

InChI Key

XGJWQNKXTXSVML-UHFFFAOYSA-N

Formula

C4H8O4

SMILES

C1OCOCOCO1

Molecular Weight¹

120.10

CAS

293-30-1

Other Names

• 1,3,5,7-Tetraoxoacane
• 1,3,5,7-Tetroxocane

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase 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_subH° : Enthalpy of sublimation 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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_gas : Molar entropy at standard conditions (J/mol×K).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-2017.50 ± 0.46	kJ/mol	NIST
ΔfH°gas	-620.24 ± 0.67	kJ/mol	NIST
ΔfH°solid	-699.86 ± 0.50	kJ/mol	NIST
ΔfusH°	24.60	kJ/mol	Joback Calculated Property
ΔsubH°	[79.60; 79.60]	kJ/mol
ΔsubH°	79.60 ± 0.20	kJ/mol	NIST
ΔsubH°	79.60 ± 0.20	kJ/mol	NIST
ΔsubH°	79.60	kJ/mol	NIST
ΔvapH°	49.49	kJ/mol	Relay (1.0) Calculated Property
IE	10.03	eV	Relay (1.0) Calculated Property
logPoct/wat	-0.104		Crippen Calculated Property
McVol	79.840	ml/mol	McGowan Calculated Property
S°gas	345.60 ± 4.60	J/mol×K	NIST
S°solid,1 bar	167.50	J/mol×K	NIST
Tboil	430.31	K	Relay (1.0) Calculated Property
Tfus	347.85	K	Relay (1.0) Calculated Property
Ttriple	385.00 ± 2.00	K	NIST

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,solid	142.22	J/mol×K	298.15	NIST
ΔfusH	[22.59; 22.60]	kJ/mol	[385.00; 385.00]
ΔfusH	22.59	kJ/mol	385.00	NIST
ΔfusH	22.60	kJ/mol	385.00	NIST
ΔfusS	58.70	J/mol×K	385.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[109.61; 285.75]	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			-1.32500e+01
Coefficient B			5.01200e-01
Coefficient C			-1.81800e-04
Coefficient D			-2.04000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	109.61	J/mol×K	273.00	Calculated Property
Cp,gas	140.41	J/mol×K	353.78	Calculated Property
Cp,gas	168.54	J/mol×K	434.56	Calculated Property
Cp,gas	193.96	J/mol×K	515.33	Calculated Property
Cp,gas	216.60	J/mol×K	596.11	Calculated Property
Cp,gas	236.38	J/mol×K	676.89	Calculated Property
Cp,gas	253.26	J/mol×K	757.67	Calculated Property
Cp,gas	267.15	J/mol×K	838.44	Calculated Property
Cp,gas	278.00	J/mol×K	919.22	Calculated Property
Cp,gas	285.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0252971; 0.0002648]	Pa×s	[245.70; 461.93]	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			-1.34176e+01
Coefficient B			2.39326e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			245.70
Temperature range, max.			461.93
η	0.0252971	Pa×s	245.70	Calculated Property
η	0.0106233	Pa×s	269.73	Calculated Property
η	0.0051414	Pa×s	293.75	Calculated Property
η	0.0027769	Pa×s	317.78	Calculated Property
η	0.0016355	Pa×s	341.80	Calculated Property
η	0.0010326	Pa×s	365.83	Calculated Property
η	0.0006900	Pa×s	389.86	Calculated Property
η	0.0004832	Pa×s	413.88	Calculated Property
η	0.0003518	Pa×s	437.91	Calculated Property
η	0.0002648	Pa×s	461.93	Calculated Property

Similar Compounds

Find more compounds similar to 1,3,5,7-Tetroxane.

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

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