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

InChI

InChI=1S/C24H33ClO5/c1-3-4-5-6-7-8-9-10-11-12-13-18-29-23(26)16-17-24(27)30-21-15-14-20(25)19-22(21)28-2/h14-15,19H,3-11,16-18H2,1-2H3

InChI Key

HKXJGBRKJGJKKF-UHFFFAOYSA-N

Formula

C24H33ClO5

SMILES

CCCCCCCCCCC#CCOC(=O)CCC(=O)Oc1ccc(Cl)cc1OC

Molecular Weight¹

436.97

• 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	1.0872		Relay (1.0) Calculated Property
ΔfG°	-137.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-801.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	65.26	kJ/mol	Joback Calculated Property
ΔvapH°	124.36	kJ/mol	Relay (1.0) Calculated Property
IE	8.31	eV	Relay (1.0) Calculated Property
log10WS	-7.01		Relay (1.0) Calculated Property
logPoct/wat	6.112		Crippen Calculated Property
McVol	349.650	ml/mol	McGowan Calculated Property
Pc	1094.27	kPa	Joback Calculated Property
Inp	[3214.00; 3214.00]
Inp	3214.00		NIST
Inp	3214.00		NIST
Tboil	677.27	K	Relay (1.0) Calculated Property
Tc	900.03	K	Relay (1.0) Calculated Property
Tfus	331.48	K	Relay (1.0) Calculated Property
Vc	1.268	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1116.14; 1174.34]	J/mol×K	[1006.59; 1232.90]
Cp,gas	1116.14	J/mol×K	1006.59	Joback Calculated Property
Cp,gas	1129.78	J/mol×K	1044.31	Joback Calculated Property
Cp,gas	1141.83	J/mol×K	1082.03	Joback Calculated Property
Cp,gas	1152.28	J/mol×K	1119.74	Joback Calculated Property
Cp,gas	1161.18	J/mol×K	1157.46	Joback Calculated Property
Cp,gas	1168.53	J/mol×K	1195.18	Joback Calculated Property
Cp,gas	1174.34	J/mol×K	1232.90	Joback Calculated Property

Similar Compounds

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

Sources

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

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