Chemical Properties of Isophthalic acid, 3,7-dimethyloct-6-enyl heptyl ester

InChI

InChI=1S/C25H38O4/c1-5-6-7-8-9-17-28-24(26)22-14-11-15-23(19-22)25(27)29-18-16-21(4)13-10-12-20(2)3/h11-12,14-15,19,21H,5-10,13,16-18H2,1-4H3

InChI Key

YBCPWKXANQRJIE-UHFFFAOYSA-N

Formula

C25H38O4

SMILES

CCCCCCCOC(=O)c1cccc(C(=O)OCCC(C)CCC=C(C)C)c1

Molecular Weight¹

402.57

• 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°	-136.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-721.72	kJ/mol	Joback Calculated Property
ΔfusH°	55.10	kJ/mol	Joback Calculated Property
ΔvapH°	92.14	kJ/mol	Joback Calculated Property
log10WS	-7.85		Crippen Calculated Property
logPoct/wat	6.743		Crippen Calculated Property
McVol	349.930	ml/mol	McGowan Calculated Property
Pc	1011.02	kPa	Joback Calculated Property
Inp	[2884.00; 2884.00]
Inp	2884.00		NIST
Inp	2884.00		NIST
Tboil	959.24	K	Joback Calculated Property
Tc	1175.29	K	Joback Calculated Property
Tfus	520.73	K	Joback Calculated Property
Vc	1.351	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1153.18; 1236.19]	J/mol×K	[959.24; 1175.29]
Cp,gas	1153.18	J/mol×K	959.24	Joback Calculated Property
Cp,gas	1170.12	J/mol×K	995.25	Joback Calculated Property
Cp,gas	1185.75	J/mol×K	1031.26	Joback Calculated Property
Cp,gas	1200.11	J/mol×K	1067.26	Joback Calculated Property
Cp,gas	1213.26	J/mol×K	1103.27	Joback Calculated Property
Cp,gas	1225.27	J/mol×K	1139.28	Joback Calculated Property
Cp,gas	1236.19	J/mol×K	1175.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 3,7-dimethyloct-6-enyl heptyl ester.

Sources

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

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