Chemical Properties of 1,3,6-Trioxocane (CAS 1779-19-7)

InChI

InChI=1S/C5H10O3/c1-3-7-5-8-4-2-6-1/h1-5H2

InChI Key

AUAGGMPIKOZAJZ-UHFFFAOYSA-N

Formula

C5H10O3

SMILES

C1COCOCCO1

Molecular Weight¹

118.13

CAS

1779-19-7

Other Names

• Diethylene glycol formal
• Diglycol formal
• 1,3,6-Trioxacyclooctane
• 1,3,6-Trioxocin, tetrahydro-
• l,3,6-Trioxocane

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (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
ΔcH°liquid	-2880.75 ± 0.99	kJ/mol	NIST
ΔfG°	-259.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-467.20 ± 1.20	kJ/mol	NIST
ΔfH°liquid	-516.00 ± 1.20	kJ/mol	NIST
ΔfusH°	19.21	kJ/mol	Joback Calculated Property
ΔvapH°	[48.77; 48.80]	kJ/mol
ΔvapH°	48.77	kJ/mol	NIST
ΔvapH°	48.77 ± 0.21	kJ/mol	NIST
ΔvapH°	48.80	kJ/mol	NIST
ΔvapH°	48.80 ± 0.20	kJ/mol	NIST
IE	9.23	eV	NIST
log10WS	0.43		Crippen Calculated Property
logPoct/wat	0.007		Crippen Calculated Property
McVol	88.060	ml/mol	McGowan Calculated Property
Pc	4842.69	kPa	Joback Calculated Property
Tboil	427.41	K	Joback Calculated Property
Tc	653.22	K	Joback Calculated Property
Tfus	230.40	K	Joback Calculated Property
Vc	0.296	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[178.95; 253.27]	J/mol×K	[427.41; 653.22]
Cp,gas	178.95	J/mol×K	427.41	Joback Calculated Property
Cp,gas	193.11	J/mol×K	465.04	Joback Calculated Property
Cp,gas	206.55	J/mol×K	502.68	Joback Calculated Property
Cp,gas	219.29	J/mol×K	540.31	Joback Calculated Property
Cp,gas	231.33	J/mol×K	577.95	Joback Calculated Property
Cp,gas	242.65	J/mol×K	615.58	Joback Calculated Property
Cp,gas	253.27	J/mol×K	653.22	Joback Calculated Property
η	[0.0003388; 0.0311861]	Pa×s	[230.40; 427.41]
η	0.0311861	Pa×s	230.40	Joback Calculated Property
η	0.0091718	Pa×s	263.24	Joback Calculated Property
η	0.0035387	Pa×s	296.07	Joback Calculated Property
η	0.0016512	Pa×s	328.90	Joback Calculated Property
η	0.0008848	Pa×s	361.74	Joback Calculated Property
η	0.0005260	Pa×s	394.57	Joback Calculated Property
η	0.0003388	Pa×s	427.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3,6-Trioxocane.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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