Chemical Properties of Phthalic acid, hept-4-yl hexadecyl ester

InChI

InChI=1S/C31H52O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-26-34-30(32)28-24-19-20-25-29(28)31(33)35-27(22-5-2)23-6-3/h19-20,24-25,27H,4-18,21-23,26H2,1-3H3

InChI Key

LLTOZVXKZGYDCY-UHFFFAOYSA-N

Formula

C31H52O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OC(CCC)CCC

Molecular Weight¹

488.74

• 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	1.3515		Relay (1.0) Calculated Property
ΔfG°	-157.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-1053.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	71.75	kJ/mol	Joback Calculated Property
ΔvapH°	135.51	kJ/mol	Relay (1.0) Calculated Property
IE	9.34	eV	Relay (1.0) Calculated Property
log10WS	-8.67		Relay (1.0) Calculated Property
logPoct/wat	9.450		Crippen Calculated Property
McVol	438.770	ml/mol	McGowan Calculated Property
Pc	700.61	kPa	Joback Calculated Property
Inp	[3319.00; 3319.00]
Inp	3319.00		NIST
Inp	3319.00		NIST
Tboil	701.06	K	Relay (1.0) Calculated Property
Tc	904.70	K	Relay (1.0) Calculated Property
Tfus	271.43	K	Relay (1.0) Calculated Property
Vc	1.653	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1560.96; 1644.50]	J/mol×K	[1092.48; 1356.26]
Cp,gas	1560.96	J/mol×K	1092.48	Joback Calculated Property
Cp,gas	1580.15	J/mol×K	1136.44	Joback Calculated Property
Cp,gas	1597.09	J/mol×K	1180.41	Joback Calculated Property
Cp,gas	1611.87	J/mol×K	1224.37	Joback Calculated Property
Cp,gas	1624.62	J/mol×K	1268.34	Joback Calculated Property
Cp,gas	1635.46	J/mol×K	1312.30	Joback Calculated Property
Cp,gas	1644.50	J/mol×K	1356.26	Joback Calculated Property
η	[0.0000095; 0.0001743]	Pa×s	[607.39; 1092.48]
η	0.0001743	Pa×s	607.39	Joback Calculated Property
η	0.0000806	Pa×s	688.24	Joback Calculated Property
η	0.0000439	Pa×s	769.09	Joback Calculated Property
η	0.0000268	Pa×s	849.93	Joback Calculated Property
η	0.0000178	Pa×s	930.78	Joback Calculated Property
η	0.0000127	Pa×s	1011.63	Joback Calculated Property
η	0.0000095	Pa×s	1092.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, hept-4-yl hexadecyl ester.

Sources

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

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