Chemical Properties of Glutaric acid, dodec-2-en-1-yl dodec-9-yn-1-yl ester

InChI

InChI=1S/C29H50O4/c1-3-5-7-9-11-13-15-17-19-21-26-32-28(30)24-23-25-29(31)33-27-22-20-18-16-14-12-10-8-6-4-2/h19,21H,3-5,7,9-18,20,22-27H2,1-2H3/b21-19+

InChI Key

PKHJGQNDYYCXQW-XUTLUUPISA-N

Formula

C29H50O4

SMILES

CCC#CCCCCCCCCOC(=O)CCCC(=O)OCC=CCCCCCCCCC

Molecular Weight¹

462.70

• 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°	8.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-741.97	kJ/mol	Joback Calculated Property
ΔfusH°	79.76	kJ/mol	Joback Calculated Property
ΔvapH°	100.57	kJ/mol	Joback Calculated Property
log10WS	-9.34		Crippen Calculated Property
logPoct/wat	8.084		Crippen Calculated Property
McVol	421.450	ml/mol	McGowan Calculated Property
Pc	731.25	kPa	Joback Calculated Property
Inp	[3292.00; 3292.00]
Inp	3292.00		NIST
Inp	3292.00		NIST
Tboil	1028.66	K	Joback Calculated Property
Tc	1269.82	K	Joback Calculated Property
Tfus	661.93	K	Joback Calculated Property
Vc	1.649	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1454.73; 1554.97]	J/mol×K	[1028.66; 1269.82]
Cp,gas	1454.73	J/mol×K	1028.66	Joback Calculated Property
Cp,gas	1475.49	J/mol×K	1068.85	Joback Calculated Property
Cp,gas	1494.52	J/mol×K	1109.05	Joback Calculated Property
Cp,gas	1511.89	J/mol×K	1149.24	Joback Calculated Property
Cp,gas	1527.69	J/mol×K	1189.43	Joback Calculated Property
Cp,gas	1542.02	J/mol×K	1229.63	Joback Calculated Property
Cp,gas	1554.97	J/mol×K	1269.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, dodec-2-en-1-yl dodec-9-yn-1-yl ester.

Sources

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

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