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

InChI

InChI=1S/C26H40O4/c1-5-6-7-8-9-10-18-29-25(27)23-15-12-16-24(20-23)26(28)30-19-17-22(4)14-11-13-21(2)3/h12-13,15-16,20,22H,5-11,14,17-19H2,1-4H3

InChI Key

WULLPAYPKOUGQS-UHFFFAOYSA-N

Formula

C26H40O4

SMILES

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

Molecular Weight¹

416.59

• 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°	-127.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-742.36	kJ/mol	Joback Calculated Property
ΔfusH°	57.69	kJ/mol	Joback Calculated Property
ΔvapH°	94.37	kJ/mol	Joback Calculated Property
log10WS	-8.27		Crippen Calculated Property
logPoct/wat	7.133		Crippen Calculated Property
McVol	364.020	ml/mol	McGowan Calculated Property
Pc	952.01	kPa	Joback Calculated Property
Inp	[2987.00; 2987.00]
Inp	2987.00		NIST
Inp	2987.00		NIST
Tboil	982.12	K	Joback Calculated Property
Tc	1202.45	K	Joback Calculated Property
Tfus	532.00	K	Joback Calculated Property
Vc	1.407	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1215.30; 1299.10]	J/mol×K	[982.12; 1202.45]
Cp,gas	1215.30	J/mol×K	982.12	Joback Calculated Property
Cp,gas	1232.50	J/mol×K	1018.84	Joback Calculated Property
Cp,gas	1248.33	J/mol×K	1055.56	Joback Calculated Property
Cp,gas	1262.83	J/mol×K	1092.28	Joback Calculated Property
Cp,gas	1276.09	J/mol×K	1129.00	Joback Calculated Property
Cp,gas	1288.16	J/mol×K	1165.73	Joback Calculated Property
Cp,gas	1299.10	J/mol×K	1202.45	Joback Calculated Property

Similar Compounds

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

Sources

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

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