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

InChI

InChI=1S/C24H38O4/c1-4-7-8-9-10-11-12-13-14-15-16-21-27-23(25)19-17-20-24(26)28-22(6-3)18-5-2/h5-6,22H,2-4,7-14,17-21H2,1H3

InChI Key

BIUSWQXTURENPE-UHFFFAOYSA-N

Formula

C24H38O4

SMILES

C=CCC(C=C)OC(=O)CCCC(=O)OCC#CCCCCCCCCCC

Molecular Weight¹

390.56

• 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).
• 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°	59.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-510.41	kJ/mol	Joback Calculated Property
ΔfusH°	60.53	kJ/mol	Joback Calculated Property
ΔvapH°	87.75	kJ/mol	Joback Calculated Property
log10WS	-7.21		Crippen Calculated Property
logPoct/wat	5.908		Crippen Calculated Property
McVol	346.700	ml/mol	McGowan Calculated Property
Pc	990.13	kPa	Joback Calculated Property
Inp	[2653.00; 2653.00]
Inp	2653.00		NIST
Inp	2653.00		NIST
Tboil	903.02	K	Joback Calculated Property
Tc	1106.42	K	Joback Calculated Property
Tfus	592.14	K	Joback Calculated Property
Vc	1.345	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1107.53; 1196.20]	J/mol×K	[903.02; 1106.42]
Cp,gas	1107.53	J/mol×K	903.02	Joback Calculated Property
Cp,gas	1125.23	J/mol×K	936.92	Joback Calculated Property
Cp,gas	1141.71	J/mol×K	970.82	Joback Calculated Property
Cp,gas	1157.01	J/mol×K	1004.72	Joback Calculated Property
Cp,gas	1171.16	J/mol×K	1038.62	Joback Calculated Property
Cp,gas	1184.22	J/mol×K	1072.52	Joback Calculated Property
Cp,gas	1196.20	J/mol×K	1106.42	Joback Calculated Property

Similar Compounds

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

Sources

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

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