Chemical Properties of Isophthalic acid, 2-isopropoxyphenyl dodecyl ester

InChI

InChI=1S/C29H40O5/c1-4-5-6-7-8-9-10-11-12-15-21-32-28(30)24-17-16-18-25(22-24)29(31)34-27-20-14-13-19-26(27)33-23(2)3/h13-14,16-20,22-23H,4-12,15,21H2,1-3H3

InChI Key

CPRMJROBVIARDO-UHFFFAOYSA-N

Formula

C29H40O5

SMILES

CCCCCCCCCCCCOC(=O)c1cccc(C(=O)Oc2ccccc2OC(C)C)c1

Molecular Weight¹

468.62

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.2785		Relay (1.0) Calculated Property
ΔfG°	-176.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-929.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.41	kJ/mol	Joback Calculated Property
ΔvapH°	126.79	kJ/mol	Relay (1.0) Calculated Property
IE	8.50	eV	Relay (1.0) Calculated Property
log10WS	-7.50		Relay (1.0) Calculated Property
logPoct/wat	7.771		Crippen Calculated Property
McVol	392.700	ml/mol	McGowan Calculated Property
Pc	925.55	kPa	Joback Calculated Property
Inp	[3529.00; 3529.00]
Inp	3529.00		NIST
Inp	3529.00		NIST
Tboil	716.43	K	Relay (1.0) Calculated Property
Tc	957.12	K	Relay (1.0) Calculated Property
Tfus	324.35	K	Relay (1.0) Calculated Property
Vc	1.473	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1347.14; 1396.34]	J/mol×K	[1100.80; 1349.52]
Cp,gas	1347.14	J/mol×K	1100.80	Joback Calculated Property
Cp,gas	1360.22	J/mol×K	1142.25	Joback Calculated Property
Cp,gas	1371.27	J/mol×K	1183.71	Joback Calculated Property
Cp,gas	1380.33	J/mol×K	1225.16	Joback Calculated Property
Cp,gas	1387.49	J/mol×K	1266.61	Joback Calculated Property
Cp,gas	1392.80	J/mol×K	1308.07	Joback Calculated Property
Cp,gas	1396.34	J/mol×K	1349.52	Joback Calculated Property
η	[0.0000102; 0.0001237]	Pa×s	[646.02; 1100.80]
η	0.0001237	Pa×s	646.02	Joback Calculated Property
η	0.0000656	Pa×s	721.82	Joback Calculated Property
η	0.0000393	Pa×s	797.61	Joback Calculated Property
η	0.0000257	Pa×s	873.41	Joback Calculated Property
η	0.0000180	Pa×s	949.21	Joback Calculated Property
η	0.0000133	Pa×s	1025.00	Joback Calculated Property
η	0.0000102	Pa×s	1100.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 2-isopropoxyphenyl dodecyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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