Chemical Properties of Succinic acid, 4-chlorobenzyl tridec-2-yn-1-yl ester

InChI

InChI=1S/C24H33ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-19-28-23(26)17-18-24(27)29-20-21-13-15-22(25)16-14-21/h13-16H,2-10,17-20H2,1H3

InChI Key

MRBOGLKHPVLMEX-UHFFFAOYSA-N

Formula

C24H33ClO4

SMILES

CCCCCCCCCCC#CCOC(=O)CCC(=O)OCc1ccc(Cl)cc1

Molecular Weight¹

420.97

• 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°	-22.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-546.67	kJ/mol	Joback Calculated Property
ΔfusH°	64.46	kJ/mol	Joback Calculated Property
ΔvapH°	96.80	kJ/mol	Joback Calculated Property
log10WS	-7.67		Crippen Calculated Property
logPoct/wat	6.241		Crippen Calculated Property
McVol	343.780	ml/mol	McGowan Calculated Property
Pc	1117.81	kPa	Joback Calculated Property
Inp	[3168.00; 3168.00]
Inp	3168.00		NIST
Inp	3168.00		NIST
Tboil	979.19	K	Joback Calculated Property
Tc	1200.84	K	Joback Calculated Property
Tfus	679.52	K	Joback Calculated Property
Vc	1.331	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1089.66; 1158.29]	J/mol×K	[979.19; 1200.84]
Cp,gas	1089.66	J/mol×K	979.19	Joback Calculated Property
Cp,gas	1104.39	J/mol×K	1016.13	Joback Calculated Property
Cp,gas	1117.75	J/mol×K	1053.07	Joback Calculated Property
Cp,gas	1129.78	J/mol×K	1090.01	Joback Calculated Property
Cp,gas	1140.52	J/mol×K	1126.96	Joback Calculated Property
Cp,gas	1150.01	J/mol×K	1163.90	Joback Calculated Property
Cp,gas	1158.29	J/mol×K	1200.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-chlorobenzyl tridec-2-yn-1-yl ester.

Sources

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

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