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

InChI

InChI=1S/C24H42O4/c1-5-7-8-9-10-11-12-13-14-15-16-20-27-23(25)18-17-19-24(26)28-22(6-2)21(3)4/h21-22H,5-14,17-20H2,1-4H3

InChI Key

MPHNPLWAFHRWJF-UHFFFAOYSA-N

Formula

C24H42O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCCC(=O)OC(CC)C(C)C

Molecular Weight¹

394.59

• 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	1.0021		Relay (... Calculated Property
ΔfG°	-118.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-898.30	kJ/mol	Relay (... Calculated Property
ΔfusH°	59.57	kJ/mol	Joback Calculated Property
ΔvapH°	108.27	kJ/mol	Relay (... Calculated Property
IE	9.20	eV	Relay (... Calculated Property
log10WS	-6.00		Relay (... Calculated Property
logPoct/wat	6.212		Crippen Calculated Property
McVol	355.300	ml/mol	McGowan Calculated Property
Pc	944.42	kPa	Joback Calculated Property
Inp	[2671.00; 2671.00]
Inp	2671.00		NIST
Inp	2671.00		NIST
Tboil	635.27	K	Relay (... Calculated Property
Tc	822.84	K	Relay (... Calculated Property
Tfus	277.42	K	Relay (... Calculated Property
Vc	1.300	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1165.63; 1258.12]	J/mol×K	[909.22; 1113.45]
Cp,gas	1165.63	J/mol×K	909.22	Joback Calculated Property
Cp,gas	1184.33	J/mol×K	943.26	Joback Calculated Property
Cp,gas	1201.67	J/mol×K	977.30	Joback Calculated Property
Cp,gas	1217.69	J/mol×K	1011.34	Joback Calculated Property
Cp,gas	1232.42	J/mol×K	1045.37	Joback Calculated Property
Cp,gas	1245.89	J/mol×K	1079.41	Joback Calculated Property
Cp,gas	1258.12	J/mol×K	1113.45	Joback Calculated Property

Similar Compounds

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

Sources

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

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