Chemical Properties of Glutaric acid, hexa-1,5-dien-3-yl hex-4-yn-3-yl ester

InChI

InChI=1S/C17H24O4/c1-5-10-14(7-3)20-16(18)12-9-13-17(19)21-15(8-4)11-6-2/h5,7,14-15H,1,3,8-10,12-13H2,2,4H3

InChI Key

KSOWJGUBICFRHQ-UHFFFAOYSA-N

Formula

C17H24O4

SMILES

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

Molecular Weight¹

292.37

• 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	0.6407		Relay (... Calculated Property
ΔfG°	-1.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-592.93	kJ/mol	Relay (... Calculated Property
ΔfusH°	38.88	kJ/mol	Joback Calculated Property
ΔvapH°	82.53	kJ/mol	Relay (... Calculated Property
IE	9.13	eV	Relay (... Calculated Property
log10WS	-3.08		Relay (... Calculated Property
logPoct/wat	3.176		Crippen Calculated Property
McVol	248.070	ml/mol	McGowan Calculated Property
Pc	1602.56	kPa	Joback Calculated Property
Inp	[1875.00; 1875.00]
Inp	1875.00		NIST
Inp	1875.00		NIST
Tboil	573.68	K	Relay (... Calculated Property
Tc	749.88	K	Relay (... Calculated Property
Tfus	269.69	K	Relay (... Calculated Property
Vc	0.845	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[695.21; 776.05]	J/mol×K	[742.42; 940.27]
Cp,gas	695.21	J/mol×K	742.42	Joback Calculated Property
Cp,gas	710.94	J/mol×K	775.40	Joback Calculated Property
Cp,gas	725.74	J/mol×K	808.37	Joback Calculated Property
Cp,gas	739.64	J/mol×K	841.35	Joback Calculated Property
Cp,gas	752.64	J/mol×K	874.32	Joback Calculated Property
Cp,gas	764.78	J/mol×K	907.30	Joback Calculated Property
Cp,gas	776.05	J/mol×K	940.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hexa-1,5-dien-3-yl hex-4-yn-3-yl ester.

Sources

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

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