Chemical Properties of Glutaric acid, tridec-2-yn-1-yl 2-chloro-5-methylphenyl ester

InChI

InChI=1S/C25H35ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-19-29-24(27)15-14-16-25(28)30-23-20-21(2)17-18-22(23)26/h17-18,20H,3-11,14-16,19H2,1-2H3

InChI Key

KXZLUDHBGJXXQK-UHFFFAOYSA-N

Formula

C25H35ClO4

SMILES

CCCCCCCCCCC#CCOC(=O)CCCC(=O)Oc1cc(C)ccc1Cl

Molecular Weight¹

435.00

• 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	1.0797		Relay (1.0) Calculated Property
ΔfG°	-24.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-716.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.66	kJ/mol	Joback Calculated Property
ΔvapH°	124.23	kJ/mol	Relay (1.0) Calculated Property
IE	8.24	eV	Relay (1.0) Calculated Property
log10WS	-7.34		Relay (1.0) Calculated Property
logPoct/wat	6.802		Crippen Calculated Property
McVol	357.870	ml/mol	McGowan Calculated Property
Pc	1039.24	kPa	Joback Calculated Property
Inp	[3186.00; 3186.00]
Inp	3186.00		NIST
Inp	3186.00		NIST
Tboil	674.71	K	Relay (1.0) Calculated Property
Tc	904.41	K	Relay (1.0) Calculated Property
Tfus	328.15	K	Relay (1.0) Calculated Property
Vc	1.303	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1149.60; 1216.65]	J/mol×K	[1007.05; 1233.35]
Cp,gas	1149.60	J/mol×K	1007.05	Joback Calculated Property
Cp,gas	1164.34	J/mol×K	1044.77	Joback Calculated Property
Cp,gas	1177.59	J/mol×K	1082.48	Joback Calculated Property
Cp,gas	1189.41	J/mol×K	1120.20	Joback Calculated Property
Cp,gas	1199.84	J/mol×K	1157.92	Joback Calculated Property
Cp,gas	1208.90	J/mol×K	1195.63	Joback Calculated Property
Cp,gas	1216.65	J/mol×K	1233.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl 2-chloro-5-methylphenyl ester.

Sources

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

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