Chemical Properties of Methyl octadecyl phthalate

InChI

InChI=1S/C27H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-31-27(29)25-22-19-18-21-24(25)26(28)30-2/h18-19,21-22H,3-17,20,23H2,1-2H3

InChI Key

CEZDGMOJTFOHSE-UHFFFAOYSA-N

Formula

C27H44O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OC

Molecular Weight¹

432.64

Other Names

• 1,2-Benzenedicarboxylic acid, octadecyl methyl ester

• 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	1.2572		Relay (... Calculated Property
ΔfG°	-188.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-957.49	kJ/mol	Relay (... Calculated Property
ΔfusH°	64.91	kJ/mol	Joback Calculated Property
ΔvapH°	130.24	kJ/mol	Relay (... Calculated Property
IE	9.50	eV	Relay (... Calculated Property
log10WS	-7.99		Relay (... Calculated Property
logPoct/wat	7.891		Crippen Calculated Property
McVol	382.410	ml/mol	McGowan Calculated Property
Pc	864.04	kPa	Joback Calculated Property
Inp	[3155.00; 3155.00]
Inp	3155.00		NIST
Inp	3155.00		NIST
Tboil	675.09	K	Relay (... Calculated Property
Tc	884.72	K	Relay (... Calculated Property
Tfus	305.95	K	Relay (... Calculated Property
Vc	1.457	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1306.45; 1390.19]	J/mol×K	[1001.40; 1228.17]
Cp,gas	1306.45	J/mol×K	1001.40	Joback Calculated Property
Cp,gas	1324.35	J/mol×K	1039.19	Joback Calculated Property
Cp,gas	1340.59	J/mol×K	1076.99	Joback Calculated Property
Cp,gas	1355.23	J/mol×K	1114.78	Joback Calculated Property
Cp,gas	1368.34	J/mol×K	1152.58	Joback Calculated Property
Cp,gas	1379.97	J/mol×K	1190.37	Joback Calculated Property
Cp,gas	1390.19	J/mol×K	1228.17	Joback Calculated Property
η	[0.0000195; 0.0002685]	Pa×s	[577.31; 1001.40]
η	0.0002685	Pa×s	577.31	Joback Calculated Property
η	0.0001367	Pa×s	647.99	Joback Calculated Property
η	0.0000795	Pa×s	718.67	Joback Calculated Property
η	0.0000510	Pa×s	789.36	Joback Calculated Property
η	0.0000351	Pa×s	860.04	Joback Calculated Property
η	0.0000256	Pa×s	930.72	Joback Calculated Property
η	0.0000195	Pa×s	1001.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl octadecyl phthalate.

Sources

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

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