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

InChI

InChI=1S/C24H34O4/c1-3-5-6-7-8-9-10-11-12-13-14-19-28-24(26)22-17-15-16-21(20-22)23(25)27-18-4-2/h15-17,20H,3-12,18-19H2,1-2H3

InChI Key

QJCVBXCOHUVOLQ-UHFFFAOYSA-N

Formula

C24H34O4

SMILES

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

Molecular Weight¹

386.52

• 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°	-11.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-530.93	kJ/mol	Joback Calculated Property
ΔfusH°	60.26	kJ/mol	Joback Calculated Property
ΔvapH°	92.42	kJ/mol	Joback Calculated Property
log10WS	-7.61		Crippen Calculated Property
logPoct/wat	5.944		Crippen Calculated Property
McVol	331.540	ml/mol	McGowan Calculated Property
Pc	1145.99	kPa	Joback Calculated Property
Inp	[2976.00; 2976.00]
Inp	2976.00		NIST
Inp	2976.00		NIST
Tboil	941.76	K	Joback Calculated Property
Tc	1156.88	K	Joback Calculated Property
Tfus	649.60	K	Joback Calculated Property
Vc	1.282	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1064.60; 1140.93]	J/mol×K	[941.76; 1156.88]
Cp,gas	1064.60	J/mol×K	941.76	Joback Calculated Property
Cp,gas	1080.57	J/mol×K	977.61	Joback Calculated Property
Cp,gas	1095.20	J/mol×K	1013.47	Joback Calculated Property
Cp,gas	1108.51	J/mol×K	1049.32	Joback Calculated Property
Cp,gas	1120.55	J/mol×K	1085.17	Joback Calculated Property
Cp,gas	1131.35	J/mol×K	1121.03	Joback Calculated Property
Cp,gas	1140.93	J/mol×K	1156.88	Joback Calculated Property

Similar Compounds

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

Sources

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

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