Chemical Properties of Heptadecyl methyl phthalate

InChI

InChI=1S/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-30-26(28)24-21-18-17-20-23(24)25(27)29-2/h17-18,20-21H,3-16,19,22H2,1-2H3

InChI Key

RGNQRTWXLZSSIB-UHFFFAOYSA-N

Formula

C26H42O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OC

Molecular Weight¹

418.61

Other Names

• 1,2-Benzenedicarboxylic acid, heptadecyl 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	1.2218		Relay (1.0) Calculated Property
ΔfH°gas	-936.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	65.49	kJ/mol	Joback Calculated Property
ΔvapH°	127.84	kJ/mol	Relay (1.0) Calculated Property
IE	9.47	eV	Relay (1.0) Calculated Property
log10WS	-7.70		Relay (1.0) Calculated Property
logPoct/wat	7.501		Crippen Calculated Property
McVol	368.320	ml/mol	McGowan Calculated Property
Pc	871.19	kPa	Joback Calculated Property
Inp	[3063.00; 3063.00]
Inp	3063.00		NIST
Inp	3063.00		NIST
Tboil	668.59	K	Relay (1.0) Calculated Property
Tc	880.83	K	Relay (1.0) Calculated Property
Tfus	298.56	K	Relay (1.0) Calculated Property
Vc	1.404	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	[1227.54; 1310.59]	J/mol×K	[942.58; 1154.03]
Cp,gas	1227.54	J/mol×K	942.58	Joback Calculated Property
Cp,gas	1245.10	J/mol×K	977.82	Joback Calculated Property
Cp,gas	1261.10	J/mol×K	1013.06	Joback Calculated Property
Cp,gas	1275.60	J/mol×K	1048.30	Joback Calculated Property
Cp,gas	1288.66	J/mol×K	1083.55	Joback Calculated Property
Cp,gas	1300.30	J/mol×K	1118.79	Joback Calculated Property
Cp,gas	1310.59	J/mol×K	1154.03	Joback Calculated Property
η	[0.0000172; 0.0004302]	Pa×s	[506.38; 942.58]
η	0.0004302	Pa×s	506.38	Joback Calculated Property
η	0.0001797	Pa×s	579.08	Joback Calculated Property
η	0.0000912	Pa×s	651.78	Joback Calculated Property
η	0.0000531	Pa×s	724.48	Joback Calculated Property
η	0.0000341	Pa×s	797.18	Joback Calculated Property
η	0.0000236	Pa×s	869.88	Joback Calculated Property
η	0.0000172	Pa×s	942.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Heptadecyl methyl phthalate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.