Chemical Properties of Isophthalic acid, ethyl tridec-2-ynyl ester

InChI

InChI=1S/C23H32O4/c1-3-5-6-7-8-9-10-11-12-13-14-18-27-23(25)21-17-15-16-20(19-21)22(24)26-4-2/h15-17,19H,3-12,18H2,1-2H3

InChI Key

YIVXZOWRVNKJIO-UHFFFAOYSA-N

Formula

C23H32O4

SMILES

CCCCCCCCCCC#CCOC(=O)c1cccc(C(=O)OCC)c1

Molecular Weight¹

372.50

• 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°	-19.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-510.29	kJ/mol	Joback Calculated Property
ΔfusH°	57.67	kJ/mol	Joback Calculated Property
ΔvapH°	90.19	kJ/mol	Joback Calculated Property
log10WS	-7.19		Crippen Calculated Property
logPoct/wat	5.554		Crippen Calculated Property
McVol	317.450	ml/mol	McGowan Calculated Property
Pc	1224.27	kPa	Joback Calculated Property
Inp	[2870.00; 2870.00]
Inp	2870.00		NIST
Inp	2870.00		NIST
Tboil	918.88	K	Joback Calculated Property
Tc	1132.03	K	Joback Calculated Property
Tfus	638.33	K	Joback Calculated Property
Vc	1.226	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1004.00; 1080.23]	J/mol×K	[918.88; 1132.03]
Cp,gas	1004.00	J/mol×K	918.88	Joback Calculated Property
Cp,gas	1019.84	J/mol×K	954.41	Joback Calculated Property
Cp,gas	1034.38	J/mol×K	989.93	Joback Calculated Property
Cp,gas	1047.66	J/mol×K	1025.46	Joback Calculated Property
Cp,gas	1059.71	J/mol×K	1060.98	Joback Calculated Property
Cp,gas	1070.55	J/mol×K	1096.51	Joback Calculated Property
Cp,gas	1080.23	J/mol×K	1132.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, ethyl tridec-2-ynyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.