Chemical Properties of Nonadecanoic acid, ethyl ester (CAS 18281-04-4)

InChI

InChI=1S/C21H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-4-2/h3-20H2,1-2H3

InChI Key

ICVYQLQYVCXJNE-UHFFFAOYSA-N

Formula

C21H42O2

SMILES

CCCCCCCCCCCCCCCCCCC(=O)OCC

Molecular Weight¹

326.56

CAS

18281-04-4

Other Names

• ethyl nonadecanoate

• 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_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).
• 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	0.9972		Relay (1.0) Calculated Property
ΔfG°	-107.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-801.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.93	kJ/mol	Joback Calculated Property
ΔvapH°	107.43	kJ/mol	Relay (1.0) Calculated Property
IE	9.79	eV	Relay (1.0) Calculated Property
log10WS	-7.34		Relay (1.0) Calculated Property
logPoct/wat	7.201		Crippen Calculated Property
McVol	314.190	ml/mol	McGowan Calculated Property
Pc	983.93	kPa	Joback Calculated Property
Inp	[2274.00; 2282.00]
Inp	2278.00		NIST
Inp	2282.00		NIST
Inp	2277.00		NIST
Inp	2274.00		NIST
Inp	2277.00		NIST
Inp	2274.00		NIST
I	[2547.00; 2565.00]
I	2547.00		NIST
I	2547.00		NIST
I	2563.00		NIST
I	2559.00		NIST
I	2565.00		NIST
I	2553.00		NIST
Tboil	598.06	K	Relay (1.0) Calculated Property
Tc	780.19	K	Relay (1.0) Calculated Property
Tfus	312.96	K	Relay (1.0) Calculated Property
Vc	1.241	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[969.32; 1075.99]	J/mol×K	[756.17; 929.77]
Cp,gas	969.32	J/mol×K	756.17	Joback Calculated Property
Cp,gas	989.43	J/mol×K	785.10	Joback Calculated Property
Cp,gas	1008.57	J/mol×K	814.04	Joback Calculated Property
Cp,gas	1026.77	J/mol×K	842.97	Joback Calculated Property
Cp,gas	1044.06	J/mol×K	871.90	Joback Calculated Property
Cp,gas	1060.46	J/mol×K	900.83	Joback Calculated Property
Cp,gas	1075.99	J/mol×K	929.77	Joback Calculated Property
η	[0.0000640; 0.0014949]	Pa×s	[398.59; 756.17]
η	0.0014949	Pa×s	398.59	Joback Calculated Property
η	0.0006283	Pa×s	458.19	Joback Calculated Property
η	0.0003224	Pa×s	517.78	Joback Calculated Property
η	0.0001899	Pa×s	577.38	Joback Calculated Property
η	0.0001235	Pa×s	636.98	Joback Calculated Property
η	0.0000864	Pa×s	696.57	Joback Calculated Property
η	0.0000640	Pa×s	756.17	Joback Calculated Property
ΔfusH	43.10	kJ/mol	309.00	NIST
ΔsubH	149.70	kJ/mol	305.00	NIST
ΔvapH	111.00	kJ/mol	320.00	NIST

Similar Compounds

Find more compounds similar to Nonadecanoic acid, ethyl ester.

Sources

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

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