Chemical Properties of Propanoic acid, hexadecyl ester

InChI

InChI=1S/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)4-2/h3-18H2,1-2H3

InChI Key

RSRQBSGZMPVCOI-UHFFFAOYSA-N

Formula

C19H38O2

SMILES

CCCCCCCCCCCCCCCCOC(=O)CC

Molecular Weight¹

298.51

Other Names

• 1-Hexadecanol, propanoate
• Hexadecyl propionate
• propionic acid, hexadecyl 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.
• I : 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	0.9359		Relay (1.0) Calculated Property
ΔfG°	-201.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-750.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.33	kJ/mol	Joback Calculated Property
ΔvapH°	97.69	kJ/mol	Relay (1.0) Calculated Property
IE	9.76	eV	Relay (1.0) Calculated Property
log10WS	-6.53		Relay (1.0) Calculated Property
logPoct/wat	6.421		Crippen Calculated Property
McVol	286.010	ml/mol	McGowan Calculated Property
Pc	1084.20	kPa	Joback Calculated Property
Inp	[2068.00; 2088.00]
Inp	2079.00		NIST
Inp	2085.00		NIST
Inp	2081.00		NIST
Inp	2079.00		NIST
Inp	2081.00		NIST
Inp	2084.00		NIST
Inp	Outlier 2068.00		NIST
Inp	2088.00		NIST
Inp	2079.00		NIST
Inp	2084.00		NIST
Inp	2088.00		NIST
I	[2350.00; 2375.00]
I	2350.00		NIST
I	2352.00		NIST
I	2367.00		NIST
I	2370.00		NIST
I	2375.00		NIST
I	2370.00		NIST
Tboil	582.88	K	Relay (1.0) Calculated Property
Tc	767.37	K	Relay (1.0) Calculated Property
Tfus	293.29	K	Relay (1.0) Calculated Property
Vc	1.130	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[839.24; 942.56]	J/mol×K	[692.54; 859.20]
Cp,gas	839.24	J/mol×K	692.54	Joback Calculated Property
Cp,gas	858.61	J/mol×K	720.32	Joback Calculated Property
Cp,gas	877.09	J/mol×K	748.09	Joback Calculated Property
Cp,gas	894.71	J/mol×K	775.87	Joback Calculated Property
Cp,gas	911.48	J/mol×K	803.64	Joback Calculated Property
Cp,gas	927.42	J/mol×K	831.42	Joback Calculated Property
Cp,gas	942.56	J/mol×K	859.20	Joback Calculated Property
η	[0.0000751; 0.0027352]	Pa×s	[346.22; 692.54]
η	0.0027352	Pa×s	346.22	Joback Calculated Property
η	0.0009791	Pa×s	403.94	Joback Calculated Property
η	0.0004531	Pa×s	461.66	Joback Calculated Property
η	0.0002489	Pa×s	519.38	Joback Calculated Property
η	0.0001541	Pa×s	577.10	Joback Calculated Property
η	0.0001041	Pa×s	634.82	Joback Calculated Property
η	0.0000751	Pa×s	692.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, hexadecyl ester.

Sources

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

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