Chemical Properties of 3,6,9,12-Tetraoxatetradecane-1,14-diol, diacetate (CAS 22790-13-2)

InChI

InChI=1S/C14H26O8/c1-13(15)21-11-9-19-7-5-17-3-4-18-6-8-20-10-12-22-14(2)16/h3-12H2,1-2H3

InChI Key

MBGINZGOPMLHQN-UHFFFAOYSA-N

Formula

C14H26O8

SMILES

CC(=O)OCCOCCOCCOCCOCCOC(C)=O

Molecular Weight¹

322.35

CAS

22790-13-2

Other Names

• 3,6,9,12-tetraoxatetradecane-1,14-diyl diacetate

• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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
ΔfG°	-820.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-1350.77	kJ/mol	Joback Calculated Property
ΔfusH°	42.34	kJ/mol	Joback Calculated Property
ΔvapH°	74.71	kJ/mol	Joback Calculated Property
log10WS	0.24		Crippen Calculated Property
logPoct/wat	0.179		Crippen Calculated Property
McVol	246.480	ml/mol	McGowan Calculated Property
Pc	1552.45	kPa	Joback Calculated Property
Inp	[2094.00; 2109.00]
Inp	2108.00		NIST
Inp	2105.00		NIST
Inp	2098.00		NIST
Inp	2100.00		NIST
Inp	2102.00		NIST
Inp	2109.00		NIST
Inp	2098.00		NIST
Inp	2102.00		NIST
Inp	2103.00		NIST
Inp	2101.00		NIST
Inp	2099.00		NIST
Inp	2102.00		NIST
Inp	2094.00		NIST
Inp	2094.00		NIST
Inp	2108.00		NIST
Inp	2109.00		NIST
Inp	2099.00		NIST
Tboil	761.98	K	Joback Calculated Property
Tc	941.91	K	Joback Calculated Property
Tfus	480.78	K	Joback Calculated Property
Vc	0.940	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[737.94; 813.79]	J/mol×K	[761.98; 941.91]
Cp,gas	737.94	J/mol×K	761.98	Joback Calculated Property
Cp,gas	752.88	J/mol×K	791.97	Joback Calculated Property
Cp,gas	766.95	J/mol×K	821.96	Joback Calculated Property
Cp,gas	780.10	J/mol×K	851.94	Joback Calculated Property
Cp,gas	792.31	J/mol×K	881.93	Joback Calculated Property
Cp,gas	803.55	J/mol×K	911.92	Joback Calculated Property
Cp,gas	813.79	J/mol×K	941.91	Joback Calculated Property
η	[0.0000401; 0.0003580]	Pa×s	[480.78; 761.98]
η	0.0003580	Pa×s	480.78	Joback Calculated Property
η	0.0002113	Pa×s	527.65	Joback Calculated Property
η	0.0001359	Pa×s	574.51	Joback Calculated Property
η	0.0000935	Pa×s	621.38	Joback Calculated Property
η	0.0000677	Pa×s	668.25	Joback Calculated Property
η	0.0000512	Pa×s	715.11	Joback Calculated Property
η	0.0000401	Pa×s	761.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,6,9,12-Tetraoxatetradecane-1,14-diol, diacetate.

Sources

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

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