Chemical Properties of Glutaric acid, 2-methylpent-3-yl dodec-9-yn-1-yl ester

InChI

InChI=1S/C23H40O4/c1-5-7-8-9-10-11-12-13-14-15-19-26-22(24)17-16-18-23(25)27-21(6-2)20(3)4/h20-21H,5-6,9-19H2,1-4H3

InChI Key

SPDUNZFXTSTKQW-UHFFFAOYSA-N

Formula

C23H40O4

SMILES

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

Molecular Weight¹

380.56

• 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	0.9621		Relay (1.0) Calculated Property
ΔfG°	-127.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-893.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.98	kJ/mol	Joback Calculated Property
ΔvapH°	102.72	kJ/mol	Relay (1.0) Calculated Property
IE	9.01	eV	Relay (1.0) Calculated Property
log10WS	-5.18		Relay (1.0) Calculated Property
logPoct/wat	5.822		Crippen Calculated Property
McVol	341.210	ml/mol	McGowan Calculated Property
Pc	1002.71	kPa	Joback Calculated Property
Inp	[2589.00; 2589.00]
Inp	2589.00		NIST
Inp	2589.00		NIST
Tboil	630.60	K	Relay (1.0) Calculated Property
Tc	818.85	K	Relay (1.0) Calculated Property
Tfus	278.36	K	Relay (1.0) Calculated Property
Vc	1.247	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1103.44; 1195.24]	J/mol×K	[886.34; 1086.67]
Cp,gas	1103.44	J/mol×K	886.34	Joback Calculated Property
Cp,gas	1121.84	J/mol×K	919.73	Joback Calculated Property
Cp,gas	1138.97	J/mol×K	953.12	Joback Calculated Property
Cp,gas	1154.84	J/mol×K	986.50	Joback Calculated Property
Cp,gas	1169.50	J/mol×K	1019.89	Joback Calculated Property
Cp,gas	1182.95	J/mol×K	1053.28	Joback Calculated Property
Cp,gas	1195.24	J/mol×K	1086.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-methylpent-3-yl dodec-9-yn-1-yl ester.

Sources

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

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