Chemical Properties of l,3,6-Trioxocane

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

Other Names

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

• ω : Acentric Factor.
• 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
ω	0.3076		Relay (1.0) Calculated Property
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	0.81		Relay (1.0) 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	433.51	K	Relay (1.0) Calculated Property
Tc	637.20	K	Relay (1.0) Calculated Property
Tfus	242.61	K	Relay (1.0) Calculated Property
Vc	0.314	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[113.47; 317.82]	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			-3.14800e+01
Coefficient B			5.99200e-01
Coefficient C			-2.50100e-04
Coefficient D			2.00000e-10
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	113.47	J/mol×K	273.00	Calculated Property
Cp,gas	149.21	J/mol×K	353.78	Calculated Property
Cp,gas	181.69	J/mol×K	434.56	Calculated Property
Cp,gas	210.92	J/mol×K	515.33	Calculated Property
Cp,gas	236.88	J/mol×K	596.11	Calculated Property
Cp,gas	259.58	J/mol×K	676.89	Calculated Property
Cp,gas	279.03	J/mol×K	757.67	Calculated Property
Cp,gas	295.22	J/mol×K	838.44	Calculated Property
Cp,gas	308.15	J/mol×K	919.22	Calculated Property
Cp,gas	317.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0311861; 0.0002393]	Pa×s	[230.40; 457.47]	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			-1.32792e+01
Coefficient B			2.26055e+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.			230.40
Temperature range, max.			457.47
η	0.0311861	Pa×s	230.40	Calculated Property
η	0.0118417	Pa×s	255.63	Calculated Property
η	0.0053509	Pa×s	280.86	Calculated Property
η	0.0027562	Pa×s	306.09	Calculated Property
η	0.0015706	Pa×s	331.32	Calculated Property
η	0.0009692	Pa×s	356.55	Calculated Property
η	0.0006374	Pa×s	381.78	Calculated Property
η	0.0004416	Pa×s	407.01	Calculated Property
η	0.0003193	Pa×s	432.24	Calculated Property
η	0.0002393	Pa×s	457.47	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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