Chemical Properties of Succinic acid, hex-4-yn-3-yl 3-phenoxybenzyl ester

InChI

InChI=1S/C23H24O5/c1-3-9-19(4-2)28-23(25)15-14-22(24)26-17-18-10-8-13-21(16-18)27-20-11-6-5-7-12-20/h5-8,10-13,16,19H,4,14-15,17H2,1-2H3

InChI Key

RGNUMXAUHKISDB-UHFFFAOYSA-N

Formula

C23H24O5

SMILES

CC#CC(CC)OC(=O)CCC(=O)OCc1cccc(Oc2ccccc2)c1

Molecular Weight¹

380.43

• 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°	-14.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-411.26	kJ/mol	Joback Calculated Property
ΔfusH°	49.38	kJ/mol	Joback Calculated Property
ΔvapH°	94.49	kJ/mol	Joback Calculated Property
log10WS	-5.80		Crippen Calculated Property
logPoct/wat	4.647		Crippen Calculated Property
McVol	299.560	ml/mol	McGowan Calculated Property
Pc	1554.90	kPa	Joback Calculated Property
Inp	[2805.00; 2805.00]
Inp	2805.00		NIST
Inp	2805.00		NIST
Tboil	967.54	K	Joback Calculated Property
Tc	1204.10	K	Joback Calculated Property
Tfus	671.98	K	Joback Calculated Property
Vc	1.129	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[928.21; 981.34]	J/mol×K	[967.54; 1204.10]
Cp,gas	928.21	J/mol×K	967.54	Joback Calculated Property
Cp,gas	940.91	J/mol×K	1006.97	Joback Calculated Property
Cp,gas	952.03	J/mol×K	1046.39	Joback Calculated Property
Cp,gas	961.60	J/mol×K	1085.82	Joback Calculated Property
Cp,gas	969.66	J/mol×K	1125.25	Joback Calculated Property
Cp,gas	976.23	J/mol×K	1164.68	Joback Calculated Property
Cp,gas	981.34	J/mol×K	1204.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hex-4-yn-3-yl 3-phenoxybenzyl ester.

Sources

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

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