Chemical Properties of Isophthalic acid, heptyl 2-isopropylphenyl ester

InChI

InChI=1S/C24H30O4/c1-4-5-6-7-10-16-27-23(25)19-12-11-13-20(17-19)24(26)28-22-15-9-8-14-21(22)18(2)3/h8-9,11-15,17-18H,4-7,10,16H2,1-3H3

InChI Key

MWIAAEGQVJPIFM-UHFFFAOYSA-N

Formula

C24H30O4

SMILES

CCCCCCCOC(=O)c1cccc(C(=O)Oc2ccccc2C(C)C)c1

Molecular Weight¹

382.49

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	-113.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-583.45	kJ/mol	Joback Calculated Property
ΔfusH°	47.27	kJ/mol	Joback Calculated Property
ΔvapH°	92.82	kJ/mol	Joback Calculated Property
log10WS	-7.50		Crippen Calculated Property
logPoct/wat	6.156		Crippen Calculated Property
McVol	316.380	ml/mol	McGowan Calculated Property
Pc	1284.67	kPa	Joback Calculated Property
Inp	[2918.00; 2918.00]
Inp	2918.00		NIST
Inp	2918.00		NIST
Tboil	963.98	K	Joback Calculated Property
Tc	1189.04	K	Joback Calculated Property
Tfus	567.44	K	Joback Calculated Property
Vc	1.206	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1016.14; 1081.66]	J/mol×K	[963.98; 1189.04]
T(K) Ideal gas heat capacity (J/mol×K) 1010 1020 1030 1040 1050 1060 1070 1080 1000 1050 1100 1150
Cp,gas	1016.14	J/mol×K	963.98	Joback Calculated Property
Cp,gas	1030.50	J/mol×K	1001.49	Joback Calculated Property
Cp,gas	1043.42	J/mol×K	1039.00	Joback Calculated Property
Cp,gas	1054.95	J/mol×K	1076.51	Joback Calculated Property
Cp,gas	1065.14	J/mol×K	1114.02	Joback Calculated Property
Cp,gas	1074.03	J/mol×K	1151.53	Joback Calculated Property
Cp,gas	1081.66	J/mol×K	1189.04	Joback Calculated Property
η	[0.0000296; 0.0003262]	Pa×s	[567.44; 963.98]
T(K) Dynamic viscosity (Pa×s) 0 5.00e-5 1.00e-4 1.50e-4 2.00e-4 2.50e-4 3.00e-4 3.50e-4 600 700 800 900
η	0.0003262	Pa×s	567.44	Joback Calculated Property
η	0.0001776	Pa×s	633.53	Joback Calculated Property
η	0.0001084	Pa×s	699.62	Joback Calculated Property
η	0.0000721	Pa×s	765.71	Joback Calculated Property
η	0.0000511	Pa×s	831.80	Joback Calculated Property
η	0.0000381	Pa×s	897.89	Joback Calculated Property
η	0.0000296	Pa×s	963.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, heptyl 2-isopropylphenyl ester.

Sources

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

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