Chemical Properties of Propanoic acid, hexadecyl ester (CAS 6221-96-1)

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

298.50

CAS

6221-96-1

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°	-124.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-750.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.75	kJ/mol	Joback Calculated Property
ΔvapH°	95.69	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	1114.08	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	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	764.11	K	Relay (1.0) Calculated Property
Tfus	296.93	K	Relay (1.0) Calculated Property
Vc	1.128	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[848.69; 951.34]	J/mol×K	[710.41; 879.90]
Cp,gas	848.69	J/mol×K	710.41	Joback Calculated Property
Cp,gas	867.91	J/mol×K	738.66	Joback Calculated Property
Cp,gas	886.25	J/mol×K	766.91	Joback Calculated Property
Cp,gas	903.75	J/mol×K	795.15	Joback Calculated Property
Cp,gas	920.41	J/mol×K	823.40	Joback Calculated Property
Cp,gas	936.27	J/mol×K	851.65	Joback Calculated Property
Cp,gas	951.34	J/mol×K	879.90	Joback Calculated Property
η	[0.0000838; 0.0018384]	Pa×s	[376.05; 710.41]
η	0.0018384	Pa×s	376.05	Joback Calculated Property
η	0.0007881	Pa×s	431.78	Joback Calculated Property
η	0.0004101	Pa×s	487.50	Joback Calculated Property
η	0.0002440	Pa×s	543.23	Joback Calculated Property
η	0.0001599	Pa×s	598.96	Joback Calculated Property
η	0.0001126	Pa×s	654.68	Joback Calculated Property
η	0.0000838	Pa×s	710.41	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

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.