Chemical Properties of Hexadecanoic acid, methyl ester (CAS 112-39-0)

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI

InChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3

InChI Key

FLIACVVOZYBSBS-UHFFFAOYSA-N

Formula

C17H34O2

SMILES

CCCCCCCCCCCCCCCC(=O)OC

Molecular Weight¹

270.45

CAS

112-39-0

Other Names

• Acide hexadecanoique methyl ester
• Emery 2216
• Metholene 2216
• Methyl hexadecanoate
• Methyl n-hexadecanoate
• Methyl palmitate
• Palmitic acid, methyl ester
• Radia 7120
• Uniphat A60
• n-Hexadecanoic acid methyl ester

Sources

• Joback Method
• NIST Webbook
• Crippen Method

• Δ_cH°_liquid: Standard liquid enthalpy of combustion (kJ/mol).
• Δ_cH°_solid: Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas: Ideal gas heat capacity (J/mol×K).
• C_p,solid: Solid phase 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_fH°_liquid: Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH°: Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH: Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH: Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH°: Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH: Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat: Octanol/Water partition coefficient.
• P_c: Critical Pressure (kPa).
• S°_{solid,1 bar}: Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil: Normal Boiling Point Temperature (K).
• T_c: Critical Temperature (K).
• T_fus: Normal melting (fusion) point (K).
• V_c: Critical Volume (m³/kg-mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-10107.00 ± 3.80	kJ/mol	NIST
ΔcH°solid	-10669.00 ± 0.40	kJ/mol	NIST
ΔfG°	-141.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-639.01	kJ/mol	Joback Calculated Property
ΔfH°liquid	-1441.80 ± 3.80	kJ/mol	NIST
ΔfusH°	42.57	kJ/mol	Joback Calculated Property
ΔvapH°	96.80 ± 0.60	kJ/mol	NIST
ΔvapH°	96.40	kJ/mol	NIST
ΔvapH°	93.20	kJ/mol	NIST
logPoct/wat	5.641		Crippen Calculated Property
Pc	1271.87	kPa	Joback Calculated Property
S°solid,1 bar	495.09	J/mol×K	NIST
Tboil	436.70	K	NIST
Tc	832.26	K	Joback Calculated Property
Tfus	[302.00; 304.00]	K
Tfus	304.00 ± 1.00	K	NIST
Tfus	303.05 ± 0.35	K	NIST
Tfus	302.74 ± 0.10	K	NIST
Tfus	302.00 ± 2.00	K	NIST
Vc	1.012	m3/kg-mol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	732.28	J/mol×K	664.65	Joback Calculated Property
Cp,solid	474.47	J/mol×K	298.15	NIST
η	0.0001080	Pa×s	664.65	Joback Calculated Property
ΔfusH	14.97	kJ/mol	302.2	NIST
ΔfusH	56.00	kJ/mol	305.2	NIST
ΔfusH	68.16	kJ/mol	307.2	NIST
ΔsubH	152.00 ± 2.00	kJ/mol	296.0	NIST
ΔvapH	[71.40; 93.40]	kJ/mol	[350.00; 498.00]
ΔvapH	93.40	kJ/mol	350.0	NIST
ΔvapH	83.30 ± 0.40	kJ/mol	397.0	NIST
ΔvapH	82.60	kJ/mol	411.5	NIST
ΔvapH	71.40	kJ/mol	448.5	NIST
ΔvapH	82.40	kJ/mol	477.0	NIST
ΔvapH	78.20	kJ/mol	498.0	NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring)	1
-CH2-	14
>C=O (nonring)	1
-CH3	2

Similar Compounds

Find more compounds similar to Hexadecanoic acid, methyl ester.

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.