Chemical Properties of Phthalic acid, 2,2-dimethylpent-3-yl tetradecyl ester

InChI

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

InChI Key

WGRFXFSHQBGAKM-UHFFFAOYSA-N

Formula

C29H48O4

SMILES

CCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OC(CC)C(C)(C)C

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	1.2191		Relay (1.0) Calculated Property
ΔfG°	-171.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-1026.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.15	kJ/mol	Joback Calculated Property
ΔvapH°	121.34	kJ/mol	Relay (1.0) Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
log10WS	-8.26		Relay (1.0) Calculated Property
logPoct/wat	8.526		Crippen Calculated Property
McVol	410.590	ml/mol	McGowan Calculated Property
Pc	785.95	kPa	Joback Calculated Property
Inp	[1498.00; 1498.00]
Inp	1498.00		NIST
Inp	1498.00		NIST
Tboil	689.27	K	Relay (1.0) Calculated Property
Tc	898.13	K	Relay (1.0) Calculated Property
Tfus	303.58	K	Relay (1.0) Calculated Property
Vc	1.527	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1433.20; 1520.81]	J/mol×K	[1043.49; 1280.94]
Cp,gas	1433.20	J/mol×K	1043.49	Joback Calculated Property
Cp,gas	1451.61	J/mol×K	1083.07	Joback Calculated Property
Cp,gas	1468.35	J/mol×K	1122.64	Joback Calculated Property
Cp,gas	1483.54	J/mol×K	1162.22	Joback Calculated Property
Cp,gas	1497.27	J/mol×K	1201.79	Joback Calculated Property
Cp,gas	1509.66	J/mol×K	1241.37	Joback Calculated Property
Cp,gas	1520.81	J/mol×K	1280.94	Joback Calculated Property
η	[0.0000097; 0.0001963]	Pa×s	[587.27; 1043.49]
η	0.0001963	Pa×s	587.27	Joback Calculated Property
η	0.0000892	Pa×s	663.31	Joback Calculated Property
η	0.0000477	Pa×s	739.34	Joback Calculated Property
η	0.0000287	Pa×s	815.38	Joback Calculated Property
η	0.0000188	Pa×s	891.42	Joback Calculated Property
η	0.0000132	Pa×s	967.45	Joback Calculated Property
η	0.0000097	Pa×s	1043.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2,2-dimethylpent-3-yl tetradecyl ester.

Sources

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

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