Chemical Properties of Propanoic acid, undecyl ester

InChI

InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-16-14(15)4-2/h3-13H2,1-2H3

InChI Key

YYOMLCJPYHLLRY-UHFFFAOYSA-N

Formula

C14H28O2

SMILES

CCCCCCCCCCCOC(=O)CC

Molecular Weight¹

228.38

• 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	0.7601		Relay (1.0) Calculated Property
ΔfG°	-243.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-649.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.38	kJ/mol	Joback Calculated Property
ΔvapH°	75.38	kJ/mol	Relay (1.0) Calculated Property
IE	9.61	eV	Relay (1.0) Calculated Property
log10WS	-4.78		Relay (1.0) Calculated Property
logPoct/wat	4.470		Crippen Calculated Property
McVol	215.560	ml/mol	McGowan Calculated Property
Pc	1529.46	kPa	Joback Calculated Property
Inp	[1564.00; 1581.00]
Inp	1575.00		NIST
Inp	1564.00		NIST
Inp	1575.00		NIST
Inp	1578.00		NIST
Inp	1577.00		NIST
Inp	1576.00		NIST
Inp	1564.00		NIST
Inp	1572.00		NIST
Inp	1581.00		NIST
I	[1813.00; 1886.00]
I	1831.00		NIST
I	1813.00		NIST
I	1853.00		NIST
I	1854.00		NIST
I	1853.00		NIST
I	1861.00		NIST
I	1886.00		NIST
Tboil	535.82	K	Relay (1.0) Calculated Property
Tc	717.45	K	Relay (1.0) Calculated Property
Tfus	261.84	K	Relay (1.0) Calculated Property
Vc	0.847	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[559.04; 651.43]	J/mol×K	[578.14; 743.60]
Cp,gas	559.04	J/mol×K	578.14	Joback Calculated Property
Cp,gas	576.17	J/mol×K	605.72	Joback Calculated Property
Cp,gas	592.58	J/mol×K	633.29	Joback Calculated Property
Cp,gas	608.31	J/mol×K	660.87	Joback Calculated Property
Cp,gas	623.35	J/mol×K	688.45	Joback Calculated Property
Cp,gas	637.72	J/mol×K	716.03	Joback Calculated Property
Cp,gas	651.43	J/mol×K	743.60	Joback Calculated Property
η	[0.0001401; 0.0045126]	Pa×s	[289.87; 578.14]
η	0.0045126	Pa×s	289.87	Joback Calculated Property
η	0.0016767	Pa×s	337.91	Joback Calculated Property
η	0.0007972	Pa×s	385.96	Joback Calculated Property
η	0.0004468	Pa×s	434.00	Joback Calculated Property
η	0.0002811	Pa×s	482.05	Joback Calculated Property
η	0.0001923	Pa×s	530.09	Joback Calculated Property
η	0.0001401	Pa×s	578.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, undecyl ester.

Sources

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

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