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_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 (1.0) Calculated Property
ΔfH°gas	-957.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	68.08	kJ/mol	Joback Calculated Property
ΔvapH°	131.79	kJ/mol	Relay (1.0) Calculated Property
IE	9.50	eV	Relay (1.0) Calculated Property
log10WS	-7.99		Relay (1.0) Calculated Property
logPoct/wat	7.891		Crippen Calculated Property
McVol	382.410	ml/mol	McGowan Calculated Property
Pc	823.84	kPa	Joback Calculated Property
Inp	[3155.00; 3155.00]
Inp	3155.00		NIST
Inp	3155.00		NIST
Tboil	675.09	K	Relay (1.0) Calculated Property
Tc	887.48	K	Relay (1.0) Calculated Property
Tfus	300.83	K	Relay (1.0) Calculated Property
Vc	1.459	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1289.93; 1373.08]	J/mol×K	[965.46; 1182.87]
Cp,gas	1289.93	J/mol×K	965.46	Joback Calculated Property
Cp,gas	1307.73	J/mol×K	1001.70	Joback Calculated Property
Cp,gas	1323.88	J/mol×K	1037.93	Joback Calculated Property
Cp,gas	1338.44	J/mol×K	1074.17	Joback Calculated Property
Cp,gas	1351.45	J/mol×K	1110.40	Joback Calculated Property
Cp,gas	1362.98	J/mol×K	1146.64	Joback Calculated Property
Cp,gas	1373.08	J/mol×K	1182.87	Joback Calculated Property
η	[0.0000147; 0.0003757]	Pa×s	[517.65; 965.46]
η	0.0003757	Pa×s	517.65	Joback Calculated Property
η	0.0001558	Pa×s	592.29	Joback Calculated Property
η	0.0000787	Pa×s	666.92	Joback Calculated Property
η	0.0000456	Pa×s	741.55	Joback Calculated Property
η	0.0000292	Pa×s	816.19	Joback Calculated Property
η	0.0000202	Pa×s	890.82	Joback Calculated Property
η	0.0000147	Pa×s	965.46	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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