Chemical Properties of Isophthalic acid, di(but-3-yn-2-yl) ester

InChI

InChI=1S/C16H14O4/c1-5-11(3)19-15(17)13-8-7-9-14(10-13)16(18)20-12(4)6-2/h1-2,7-12H,3-4H3

InChI Key

VCYIIORTCZDJDT-UHFFFAOYSA-N

Formula

C16H14O4

SMILES

C#CC(C)OC(=O)c1cccc(C(=O)OC(C)C#C)c1

Molecular Weight¹

270.28

• 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°	160.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-64.87	kJ/mol	Joback Calculated Property
ΔfusH°	35.33	kJ/mol	Joback Calculated Property
ΔvapH°	71.40	kJ/mol	Joback Calculated Property
log10WS	-4.28		Crippen Calculated Property
logPoct/wat	2.044		Crippen Calculated Property
McVol	210.220	ml/mol	McGowan Calculated Property
Pc	2417.12	kPa	Joback Calculated Property
Inp	[1933.00; 1933.00]
Inp	1933.00		NIST
Inp	1933.00		NIST
Tboil	729.08	K	Joback Calculated Property
Tc	960.99	K	Joback Calculated Property
Tfus	517.28	K	Joback Calculated Property
Vc	0.783	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[549.36; 616.06]	J/mol×K	[729.08; 960.99]
Cp,gas	549.36	J/mol×K	729.08	Joback Calculated Property
Cp,gas	562.96	J/mol×K	767.73	Joback Calculated Property
Cp,gas	575.54	J/mol×K	806.38	Joback Calculated Property
Cp,gas	587.10	J/mol×K	845.03	Joback Calculated Property
Cp,gas	597.69	J/mol×K	883.69	Joback Calculated Property
Cp,gas	607.33	J/mol×K	922.34	Joback Calculated Property
Cp,gas	616.06	J/mol×K	960.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, di(but-3-yn-2-yl) ester.

Sources

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

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