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

InChI

InChI=1S/C25H36O4/c1-3-4-5-6-7-8-9-10-11-12-15-21-28-24(26)19-16-20-25(27)29-23-18-14-13-17-22(23)2/h13-14,17-18H,3-11,16,19-21H2,1-2H3

InChI Key

DITDUYXAYBHXNM-UHFFFAOYSA-N

Formula

C25H36O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCCC(=O)Oc1ccccc1C

Molecular Weight¹

400.55

• 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	1.0536		Relay (... Calculated Property
ΔfG°	-2.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-670.09	kJ/mol	Relay (... Calculated Property
ΔfusH°	62.85	kJ/mol	Joback Calculated Property
ΔvapH°	119.01	kJ/mol	Relay (... Calculated Property
IE	8.40	eV	Relay (... Calculated Property
log10WS	-6.54		Relay (... Calculated Property
logPoct/wat	6.148		Crippen Calculated Property
McVol	345.630	ml/mol	McGowan Calculated Property
Pc	1074.98	kPa	Joback Calculated Property
Inp	[2996.00; 2996.00]
Inp	2996.00		NIST
Inp	2996.00		NIST
Tboil	667.41	K	Relay (... Calculated Property
Tc	884.27	K	Relay (... Calculated Property
Tfus	312.70	K	Relay (... Calculated Property
Vc	1.264	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1125.74; 1202.13]	J/mol×K	[964.64; 1182.62]
Cp,gas	1125.74	J/mol×K	964.64	Joback Calculated Property
Cp,gas	1141.87	J/mol×K	1000.97	Joback Calculated Property
Cp,gas	1156.58	J/mol×K	1037.30	Joback Calculated Property
Cp,gas	1169.92	J/mol×K	1073.63	Joback Calculated Property
Cp,gas	1181.93	J/mol×K	1109.96	Joback Calculated Property
Cp,gas	1192.66	J/mol×K	1146.29	Joback Calculated Property
Cp,gas	1202.13	J/mol×K	1182.62	Joback Calculated Property

Similar Compounds

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

Sources

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

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