Chemical Properties of Glutaric acid, tridec-2-yn-1-yl neopentyl ester

InChI

InChI=1S/C23H40O4/c1-5-6-7-8-9-10-11-12-13-14-15-19-26-21(24)17-16-18-22(25)27-20-23(2,3)4/h5-13,16-20H2,1-4H3

InChI Key

IISRPCKJPSFHEC-UHFFFAOYSA-N

Formula

C23H40O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCCC(=O)OCC(C)(C)C

Molecular Weight¹

380.56

• 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°	-119.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-744.10	kJ/mol	Joback Calculated Property
ΔfusH°	56.61	kJ/mol	Joback Calculated Property
ΔvapH°	85.96	kJ/mol	Joback Calculated Property
log10WS	-6.73		Crippen Calculated Property
logPoct/wat	5.823		Crippen Calculated Property
McVol	341.210	ml/mol	McGowan Calculated Property
Pc	1004.62	kPa	Joback Calculated Property
Inp	[2585.00; 2585.00]
Inp	2585.00		NIST
Inp	2585.00		NIST
Tboil	883.99	K	Joback Calculated Property
Tc	1084.51	K	Joback Calculated Property
Tfus	601.81	K	Joback Calculated Property
Vc	1.323	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1102.87; 1195.46]	J/mol×K	[883.99; 1084.51]
Cp,gas	1102.87	J/mol×K	883.99	Joback Calculated Property
Cp,gas	1121.16	J/mol×K	917.41	Joback Calculated Property
Cp,gas	1138.25	J/mol×K	950.83	Joback Calculated Property
Cp,gas	1154.18	J/mol×K	984.25	Joback Calculated Property
Cp,gas	1169.00	J/mol×K	1017.67	Joback Calculated Property
Cp,gas	1182.74	J/mol×K	1051.09	Joback Calculated Property
Cp,gas	1195.46	J/mol×K	1084.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl neopentyl ester.

Sources

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

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