Chemical Properties of Isophthalic acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester

InChI

InChI=1S/C30H38O4/c1-9-12-23(7)27(18-16-21(3)4)33-29(31)25-14-11-15-26(20-25)30(32)34-28(19-17-22(5)6)24(8)13-10-2/h11,14-15,20,23-24,27-28H,3,5,9-10,12-13H2,1-2,4,6-8H3

InChI Key

XVRBRLLOCVQTRB-UHFFFAOYSA-N

Formula

C30H38O4

SMILES

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

Molecular Weight¹

462.62

• 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°	391.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-172.31	kJ/mol	Joback Calculated Property
ΔfusH°	59.65	kJ/mol	Joback Calculated Property
ΔvapH°	105.20	kJ/mol	Joback Calculated Property
log10WS	-9.37		Crippen Calculated Property
logPoct/wat	6.769		Crippen Calculated Property
McVol	398.880	ml/mol	McGowan Calculated Property
Pc	950.25	kPa	Joback Calculated Property
Inp	[3013.00; 3013.00]
Inp	3013.00		NIST
Inp	3013.00		NIST
Tboil	1079.40	K	Joback Calculated Property
Tc	1323.12	K	Joback Calculated Property
Tfus	731.88	K	Joback Calculated Property
Vc	1.520	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1317.01; 1385.00]	J/mol×K	[1079.40; 1323.12]
Cp,gas	1317.01	J/mol×K	1079.40	Joback Calculated Property
Cp,gas	1331.98	J/mol×K	1120.02	Joback Calculated Property
Cp,gas	1345.38	J/mol×K	1160.64	Joback Calculated Property
Cp,gas	1357.30	J/mol×K	1201.26	Joback Calculated Property
Cp,gas	1367.82	J/mol×K	1241.88	Joback Calculated Property
Cp,gas	1377.03	J/mol×K	1282.50	Joback Calculated Property
Cp,gas	1385.00	J/mol×K	1323.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester.

Sources

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

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