Chemical Properties of Glutaric acid, 3-methylbutyl tridec-2-yn-1-yl ester

InChI

InChI=1S/C23H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-19-26-22(24)16-15-17-23(25)27-20-18-21(2)3/h21H,4-12,15-20H2,1-3H3

InChI Key

JANKHBOOFSPMDY-UHFFFAOYSA-N

Formula

C23H40O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCCC(=O)OCCC(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	1.0060		Relay (1.0) Calculated Property
ΔfG°	-124.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-868.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.50	kJ/mol	Joback Calculated Property
ΔvapH°	107.25	kJ/mol	Relay (1.0) Calculated Property
IE	9.25	eV	Relay (1.0) Calculated Property
log10WS	-6.03		Relay (1.0) Calculated Property
logPoct/wat	5.823		Crippen Calculated Property
McVol	341.210	ml/mol	McGowan Calculated Property
Pc	997.65	kPa	Joback Calculated Property
Inp	[2653.00; 2653.00]
Inp	2653.00		NIST
Inp	2653.00		NIST
Tboil	632.14	K	Relay (1.0) Calculated Property
Tc	814.34	K	Relay (1.0) Calculated Property
Tfus	277.99	K	Relay (1.0) Calculated Property
Vc	1.270	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1102.99; 1194.89]	J/mol×K	[886.78; 1086.62]
Cp,gas	1102.99	J/mol×K	886.78	Joback Calculated Property
Cp,gas	1121.36	J/mol×K	920.09	Joback Calculated Property
Cp,gas	1138.48	J/mol×K	953.39	Joback Calculated Property
Cp,gas	1154.37	J/mol×K	986.70	Joback Calculated Property
Cp,gas	1169.05	J/mol×K	1020.00	Joback Calculated Property
Cp,gas	1182.55	J/mol×K	1053.31	Joback Calculated Property
Cp,gas	1194.89	J/mol×K	1086.62	Joback Calculated Property

Similar Compounds

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

Sources

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

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