Chemical Properties of 1-ethyl-2-methylpropyl 3,13-dimethylpentadecanoate

InChI

InChI=1S/C23H46O2/c1-7-20(5)16-14-12-10-9-11-13-15-17-21(6)18-23(24)25-22(8-2)19(3)4/h19-22H,7-18H2,1-6H3

InChI Key

AJQJSPMMDNUUDH-UHFFFAOYSA-N

Formula

C23H46O2

SMILES

CCC(C)CCCCCCCCCC(C)CC(=O)OC(CC)C(C)C

Molecular Weight¹

354.62

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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	0.9249		Relay (1.0) Calculated Property
ΔfusH°	45.60	kJ/mol	Joback Calculated Property
ΔvapH°	99.97	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	7.547		Crippen Calculated Property
McVol	342.370	ml/mol	McGowan Calculated Property
Pc	870.68	kPa	Joback Calculated Property
Inp	[2279.00; 2279.00]
Inp	2279.00		NIST
Inp	2279.00		NIST
Tboil	594.48	K	Relay (1.0) Calculated Property
Tc	788.94	K	Relay (1.0) Calculated Property
Tfus	234.56	K	Relay (1.0) Calculated Property
Vc	1.276	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1084.93; 1197.09]	J/mol×K	[782.30; 961.63]
Cp,gas	1084.93	J/mol×K	782.30	Joback Calculated Property
Cp,gas	1106.42	J/mol×K	812.19	Joback Calculated Property
Cp,gas	1126.74	J/mol×K	842.08	Joback Calculated Property
Cp,gas	1145.94	J/mol×K	871.97	Joback Calculated Property
Cp,gas	1164.05	J/mol×K	901.86	Joback Calculated Property
Cp,gas	1181.08	J/mol×K	931.74	Joback Calculated Property
Cp,gas	1197.09	J/mol×K	961.63	Joback Calculated Property
η	[0.0000306; 0.0058340]	Pa×s	[331.30; 782.30]
η	0.0058340	Pa×s	331.30	Joback Calculated Property
η	0.0010829	Pa×s	406.47	Joback Calculated Property
η	0.0003400	Pa×s	481.63	Joback Calculated Property
η	0.0001459	Pa×s	556.80	Joback Calculated Property
η	0.0000766	Pa×s	631.97	Joback Calculated Property
η	0.0000461	Pa×s	707.13	Joback Calculated Property
η	0.0000306	Pa×s	782.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-ethyl-2-methylpropyl 3,13-dimethylpentadecanoate.

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.
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