Chemical Properties of Isophthalic acid, 4-methylpent-2-yl pentadecyl ester

InChI

InChI=1S/C29H48O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32-28(30)26-19-18-20-27(23-26)29(31)33-25(4)22-24(2)3/h18-20,23-25H,5-17,21-22H2,1-4H3

InChI Key

IQGURAZSQJFYRN-UHFFFAOYSA-N

Formula

C29H48O4

SMILES

CCCCCCCCCCCCCCCOC(=O)c1cccc(C(=O)OC(C)CC(C)C)c1

Molecular Weight¹

460.69

• 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	1.2592		Relay (... Calculated Property
ΔfG°	-176.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-1053.57	kJ/mol	Relay (... Calculated Property
ΔfusH°	63.05	kJ/mol	Joback Calculated Property
ΔvapH°	124.03	kJ/mol	Relay (... Calculated Property
IE	9.36	eV	Relay (... Calculated Property
log10WS	-8.14		Relay (... Calculated Property
logPoct/wat	8.526		Crippen Calculated Property
McVol	410.590	ml/mol	McGowan Calculated Property
Pc	781.12	kPa	Joback Calculated Property
Inp	[3209.00; 3209.00]
Inp	3209.00		NIST
Inp	3209.00		NIST
Tboil	689.99	K	Relay (... Calculated Property
Tc	890.20	K	Relay (... Calculated Property
Tfus	296.71	K	Relay (... Calculated Property
Vc	1.543	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1433.52; 1515.75]	J/mol×K	[1046.28; 1286.84]
Cp,gas	1433.52	J/mol×K	1046.28	Joback Calculated Property
Cp,gas	1451.74	J/mol×K	1086.37	Joback Calculated Property
Cp,gas	1468.04	J/mol×K	1126.47	Joback Calculated Property
Cp,gas	1482.52	J/mol×K	1166.56	Joback Calculated Property
Cp,gas	1495.24	J/mol×K	1206.65	Joback Calculated Property
Cp,gas	1506.29	J/mol×K	1246.75	Joback Calculated Property
Cp,gas	1515.75	J/mol×K	1286.84	Joback Calculated Property
η	[0.0000118; 0.0002531]	Pa×s	[569.85; 1046.28]
η	0.0002531	Pa×s	569.85	Joback Calculated Property
η	0.0001111	Pa×s	649.25	Joback Calculated Property
η	0.0000584	Pa×s	728.66	Joback Calculated Property
η	0.0000348	Pa×s	808.06	Joback Calculated Property
η	0.0000228	Pa×s	887.47	Joback Calculated Property
η	0.0000160	Pa×s	966.88	Joback Calculated Property
η	0.0000118	Pa×s	1046.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 4-methylpent-2-yl pentadecyl ester.

Sources

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

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