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

InChI

InChI=1S/C22H22O4/c1-3-8-19(4-2)25-21(23)15-16-22(24)26-20-13-11-18(12-14-20)17-9-6-5-7-10-17/h5-7,9-14,19H,4,15-16H2,1-2H3

InChI Key

YNNYSZLVZDGNEV-UHFFFAOYSA-N

Formula

C22H22O4

SMILES

CC#CC(CC)OC(=O)CCC(=O)Oc1ccc(-c2ccccc2)cc1

Molecular Weight¹

350.41

• 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°	82.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-258.40	kJ/mol	Joback Calculated Property
ΔfusH°	45.60	kJ/mol	Joback Calculated Property
ΔvapH°	89.86	kJ/mol	Joback Calculated Property
log10WS	-6.51		Crippen Calculated Property
logPoct/wat	4.384		Crippen Calculated Property
McVol	279.600	ml/mol	McGowan Calculated Property
Pc	1703.31	kPa	Joback Calculated Property
Inp	[2885.00; 2885.00]
Inp	2885.00		NIST
Inp	2885.00		NIST
Tboil	922.24	K	Joback Calculated Property
Tc	1161.46	K	Joback Calculated Property
Tfus	638.48	K	Joback Calculated Property
Vc	1.056	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[843.23; 905.08]	J/mol×K	[922.24; 1161.46]
Cp,gas	843.23	J/mol×K	922.24	Joback Calculated Property
Cp,gas	856.97	J/mol×K	962.11	Joback Calculated Property
Cp,gas	869.27	J/mol×K	1001.98	Joback Calculated Property
Cp,gas	880.19	J/mol×K	1041.85	Joback Calculated Property
Cp,gas	889.76	J/mol×K	1081.72	Joback Calculated Property
Cp,gas	898.04	J/mol×K	1121.59	Joback Calculated Property
Cp,gas	905.08	J/mol×K	1161.46	Joback Calculated Property

Similar Compounds

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

Sources

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

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