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,gas	[167.59; 232.46]	J/mol×K	[431.68; 659.90]
Cp,gas	167.59	J/mol×K	431.68	Joback Calculated Property
Cp,gas	179.95	J/mol×K	469.72	Joback Calculated Property
Cp,gas	191.70	J/mol×K	507.75	Joback Calculated Property
Cp,gas	202.83	J/mol×K	545.79	Joback Calculated Property
Cp,gas	213.34	J/mol×K	583.83	Joback Calculated Property
Cp,gas	223.22	J/mol×K	621.87	Joback Calculated Property
Cp,gas	232.46	J/mol×K	659.90	Joback Calculated Property
Cp,solid	142.22	J/mol×K	298.15	NIST
η	[0.0003807; 0.0252971]	Pa×s	[245.70; 431.68]
η	0.0252971	Pa×s	245.70	Joback Calculated Property
η	0.0084953	Pa×s	276.70	Joback Calculated Property
η	0.0035544	Pa×s	307.69	Joback Calculated Property
η	0.0017443	Pa×s	338.69	Joback Calculated Property
η	0.0009645	Pa×s	369.69	Joback Calculated Property
η	0.0005845	Pa×s	400.68	Joback Calculated Property
η	0.0003807	Pa×s	431.68	Joback Calculated Property
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

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

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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