Chemical Properties of Glutaric acid, hex-4-yn-3-yl 5-methyl-2-methoxybenzyl ester

InChI

InChI=1S/C19H24O5/c1-5-8-15(6-2)23-18(20)9-7-10-19(21)24-17-13-14(3)11-12-16(17)22-4/h11-13,15H,6-7,9-10H2,1-4H3

InChI Key

CNSIDOXHBQSTNA-UHFFFAOYSA-N

Formula

C19H24O5

SMILES

CC#CC(CC)OC(=O)CCCC(=O)Oc1cc(C)ccc1OC

Molecular Weight¹

332.39

• 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	0.8328		Relay (... Calculated Property
ΔfG°	-170.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-670.06	kJ/mol	Relay (... Calculated Property
ΔfusH°	44.59	kJ/mol	Joback Calculated Property
ΔvapH°	97.09	kJ/mol	Relay (... Calculated Property
IE	7.91	eV	Relay (... Calculated Property
log10WS	-3.80		Relay (... Calculated Property
logPoct/wat	3.424		Crippen Calculated Property
McVol	266.960	ml/mol	McGowan Calculated Property
Pc	1602.56	kPa	Joback Calculated Property
Inp	[2398.00; 2398.00]
Inp	2398.00		NIST
Inp	2398.00		NIST
Tboil	631.30	K	Relay (... Calculated Property
Tc	842.90	K	Relay (... Calculated Property
Tfus	340.04	K	Relay (... Calculated Property
Vc	0.952	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[795.91; 865.59]	J/mol×K	[854.32; 1070.23]
Cp,gas	795.91	J/mol×K	854.32	Joback Calculated Property
Cp,gas	810.67	J/mol×K	890.31	Joback Calculated Property
Cp,gas	824.17	J/mol×K	926.29	Joback Calculated Property
Cp,gas	836.42	J/mol×K	962.28	Joback Calculated Property
Cp,gas	847.41	J/mol×K	998.26	Joback Calculated Property
Cp,gas	857.13	J/mol×K	1034.25	Joback Calculated Property
Cp,gas	865.59	J/mol×K	1070.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 5-methyl-2-methoxybenzyl ester.

Sources

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

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