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

InChI

InChI=1S/C24H26O4/c1-3-12-21(4-2)27-22(25)17-11-18-23(26)28-24(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16,21,24H,4,11,17-18H2,1-2H3

InChI Key

KSSSUPGJXUGSLK-UHFFFAOYSA-N

Formula

C24H26O4

SMILES

CC#CC(CC)OC(=O)CCCC(=O)OC(c1ccccc1)c1ccccc1

Molecular Weight¹

378.46

• 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).
• 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
ΔfG°	106.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-293.49	kJ/mol	Joback Calculated Property
ΔfusH°	47.65	kJ/mol	Joback Calculated Property
ΔvapH°	93.26	kJ/mol	Joback Calculated Property
log10WS	-6.27		Crippen Calculated Property
logPoct/wat	4.835		Crippen Calculated Property
McVol	307.780	ml/mol	McGowan Calculated Property
Pc	1488.44	kPa	Joback Calculated Property
Inp	[2761.00; 2761.00]
Inp	2761.00		NIST
Inp	2761.00		NIST
Tboil	962.58	K	Joback Calculated Property
Tc	1200.23	K	Joback Calculated Property
Tfus	633.50	K	Joback Calculated Property
Vc	1.161	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[962.26; 1024.94]	J/mol×K	[962.58; 1200.23]
Cp,gas	962.26	J/mol×K	962.58	Joback Calculated Property
Cp,gas	976.18	J/mol×K	1002.19	Joback Calculated Property
Cp,gas	988.63	J/mol×K	1041.80	Joback Calculated Property
Cp,gas	999.66	J/mol×K	1081.41	Joback Calculated Property
Cp,gas	1009.35	J/mol×K	1121.01	Joback Calculated Property
Cp,gas	1017.75	J/mol×K	1160.62	Joback Calculated Property
Cp,gas	1024.94	J/mol×K	1200.23	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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