Chemical Properties of Glutaric acid, hex-4-yn-3-yl 2-isopropylphenyl ester

InChI

InChI=1S/C20H26O4/c1-5-10-16(6-2)23-19(21)13-9-14-20(22)24-18-12-8-7-11-17(18)15(3)4/h7-8,11-12,15-16H,6,9,13-14H2,1-4H3

InChI Key

GPVZBIXMMXQJCP-UHFFFAOYSA-N

Formula

C20H26O4

SMILES

CC#CC(CC)OC(=O)CCCC(=O)Oc1ccccc1C(C)C

Molecular Weight¹

330.42

• 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	0.7751		Relay (1.0) Calculated Property
ΔfG°	-49.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-565.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.86	kJ/mol	Joback Calculated Property
ΔvapH°	94.60	kJ/mol	Relay (1.0) Calculated Property
IE	8.25	eV	Relay (1.0) Calculated Property
log10WS	-4.47		Relay (1.0) Calculated Property
logPoct/wat	4.231		Crippen Calculated Property
McVol	275.180	ml/mol	McGowan Calculated Property
Pc	1533.06	kPa	Joback Calculated Property
Inp	[2281.00; 2281.00]
Inp	2281.00		NIST
Inp	2281.00		NIST
Tboil	613.24	K	Relay (1.0) Calculated Property
Tc	836.99	K	Relay (1.0) Calculated Property
Tfus	322.04	K	Relay (1.0) Calculated Property
Vc	0.973	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[827.13; 903.32]	J/mol×K	[849.36; 1066.44]
Cp,gas	827.13	J/mol×K	849.36	Joback Calculated Property
Cp,gas	842.88	J/mol×K	885.54	Joback Calculated Property
Cp,gas	857.38	J/mol×K	921.72	Joback Calculated Property
Cp,gas	870.65	J/mol×K	957.90	Joback Calculated Property
Cp,gas	882.71	J/mol×K	994.08	Joback Calculated Property
Cp,gas	893.60	J/mol×K	1030.26	Joback Calculated Property
Cp,gas	903.32	J/mol×K	1066.44	Joback Calculated Property

Similar Compounds

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

Sources

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

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