Chemical Properties of Glutaric acid, hexa-1,5-dien-3-yl 3-methylbut-2-yl ester

InChI

InChI=1S/C16H26O4/c1-6-9-14(7-2)20-16(18)11-8-10-15(17)19-13(5)12(3)4/h6-7,12-14H,1-2,8-11H2,3-5H3

InChI Key

CQDDWSWNJBSPNN-UHFFFAOYSA-N

Formula

C16H26O4

SMILES

C=CCC(C=C)OC(=O)CCCC(=O)OC(C)C(C)C

Molecular Weight¹

282.38

• 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°	-215.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-628.15	kJ/mol	Joback Calculated Property
ΔfusH°	29.64	kJ/mol	Joback Calculated Property
ΔvapH°	67.02	kJ/mol	Joback Calculated Property
log10WS	-3.93		Crippen Calculated Property
logPoct/wat	3.418		Crippen Calculated Property
McVol	242.580	ml/mol	McGowan Calculated Property
Pc	1533.06	kPa	Joback Calculated Property
Inp	[1713.00; 1713.00]
Inp	1713.00		NIST
Inp	1713.00		NIST
Tboil	710.10	K	Joback Calculated Property
Tc	896.56	K	Joback Calculated Property
Tfus	365.88	K	Joback Calculated Property
Vc	0.923	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[686.11; 770.33]	J/mol×K	[710.10; 896.56]
Cp,gas	686.11	J/mol×K	710.10	Joback Calculated Property
Cp,gas	702.29	J/mol×K	741.18	Joback Calculated Property
Cp,gas	717.59	J/mol×K	772.25	Joback Calculated Property
Cp,gas	732.03	J/mol×K	803.33	Joback Calculated Property
Cp,gas	745.62	J/mol×K	834.40	Joback Calculated Property
Cp,gas	758.39	J/mol×K	865.48	Joback Calculated Property
Cp,gas	770.33	J/mol×K	896.56	Joback Calculated Property
η	[0.0000817; 0.0023541]	Pa×s	[365.88; 710.10]
η	0.0023541	Pa×s	365.88	Joback Calculated Property
η	0.0009198	Pa×s	423.25	Joback Calculated Property
η	0.0004498	Pa×s	480.62	Joback Calculated Property
η	0.0002562	Pa×s	537.99	Joback Calculated Property
η	0.0001626	Pa×s	595.36	Joback Calculated Property
η	0.0001118	Pa×s	652.73	Joback Calculated Property
η	0.0000817	Pa×s	710.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hexa-1,5-dien-3-yl 3-methylbut-2-yl ester.

Sources

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

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