Chemical Properties of 1,2,4,5-tetraoxacyclohexane, 3,3-dimethyl, 6,6-diethyl

InChI

InChI=1S/C8H16O4/c1-5-8(6-2)11-9-7(3,4)10-12-8/h5-6H2,1-4H3

InChI Key

YOHGVBYCPQGQPE-UHFFFAOYSA-N

Formula

C8H16O4

SMILES

CCC1(CC)OOC(C)(C)OO1

Molecular Weight¹

176.21

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : 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).
• I_np : Non-polar retention indices.
• 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	0.4473		Relay (... Calculated Property
ΔfG°	-322.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-508.83	kJ/mol	Relay (... Calculated Property
ΔfusH°	28.70	kJ/mol	Joback Calculated Property
ΔvapH°	55.25	kJ/mol	Relay (... Calculated Property
IE	8.87	eV	Relay (... Calculated Property
log10WS	-2.22		Relay (... Calculated Property
logPoct/wat	2.149		Crippen Calculated Property
McVol	136.200	ml/mol	McGowan Calculated Property
Pc	3228.31	kPa	Joback Calculated Property
Inp	[1047.80; 1066.90]
Inp	1047.80		NIST
Inp	1061.20		NIST
Inp	1049.80		NIST
Inp	1061.40		NIST
Inp	1066.90		NIST
Inp	1057.30		NIST
Inp	1052.70		NIST
Tboil	434.70	K	Relay (... Calculated Property
Tc	602.58	K	Relay (... Calculated Property
Tfus	312.03	K	Relay (... Calculated Property
Vc	0.571	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[340.10; 420.23]	J/mol×K	[505.60; 721.53]
Cp,gas	340.10	J/mol×K	505.60	Joback Calculated Property
Cp,gas	355.64	J/mol×K	541.59	Joback Calculated Property
Cp,gas	370.08	J/mol×K	577.58	Joback Calculated Property
Cp,gas	383.58	J/mol×K	613.57	Joback Calculated Property
Cp,gas	396.32	J/mol×K	649.56	Joback Calculated Property
Cp,gas	408.48	J/mol×K	685.54	Joback Calculated Property
Cp,gas	420.23	J/mol×K	721.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4,5-tetraoxacyclohexane, 3,3-dimethyl, 6,6-diethyl.

Sources

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

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