Chemical Properties of 10-Undecenoic acid, propyl ester (CAS 94230-80-5)

InChI

InChI=1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-14(15)16-13-4-2/h3H,1,4-13H2,2H3

InChI Key

WSIZDNPFIBZART-UHFFFAOYSA-N

Formula

C14H26O2

SMILES

C=CCCCCCCCCC(=O)OCCC

Molecular Weight¹

226.35

CAS

94230-80-5

Other Names

• n-Propyl 10-undecenoate
• Propyl 10-undecenoate
• propyl undec-10-enoate

• 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	0.7166		Relay (1.0) Calculated Property
ΔfG°	-155.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-549.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.10	kJ/mol	Joback Calculated Property
ΔvapH°	72.15	kJ/mol	Relay (1.0) Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
log10WS	-4.46		Relay (1.0) Calculated Property
logPoct/wat	4.246		Crippen Calculated Property
McVol	211.260	ml/mol	McGowan Calculated Property
Pc	1580.97	kPa	Joback Calculated Property
Inp	1565.00		NIST
I	[1860.00; 1860.00]
I	1860.00		NIST
I	1860.00		NIST
Tboil	545.24	K	Relay (1.0) Calculated Property
Tc	717.30	K	Relay (1.0) Calculated Property
Tfus	250.00	K	Relay (1.0) Calculated Property
Vc	0.796	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[309.00; 721.20]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.25800e+01
Coefficient B			1.25902e+00
Coefficient C			-6.66100e-04
Coefficient D			1.15700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	309.00	J/mol×K	273.00	Calculated Property
Cp,gas	379.75	J/mol×K	353.78	Calculated Property
Cp,gas	443.40	J/mol×K	434.56	Calculated Property
Cp,gas	500.33	J/mol×K	515.33	Calculated Property
Cp,gas	550.91	J/mol×K	596.11	Calculated Property
Cp,gas	595.49	J/mol×K	676.89	Calculated Property
Cp,gas	634.44	J/mol×K	757.67	Calculated Property
Cp,gas	668.13	J/mol×K	838.44	Calculated Property
Cp,gas	696.93	J/mol×K	919.22	Calculated Property
Cp,gas	721.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0042690; 0.0002078]	Pa×s	[288.11; 519.92]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.22359e+01
Coefficient B			1.95324e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			288.11
Temperature range, max.			519.92
η	0.0042690	Pa×s	288.11	Calculated Property
η	0.0024474	Pa×s	313.87	Calculated Property
η	0.0015267	Pa×s	339.62	Calculated Property
η	0.0010178	Pa×s	365.38	Calculated Property
η	0.0007158	Pa×s	391.14	Calculated Property
η	0.0005258	Pa×s	416.89	Calculated Property
η	0.0004003	Pa×s	442.65	Calculated Property
η	0.0003141	Pa×s	468.41	Calculated Property
η	0.0002527	Pa×s	494.16	Calculated Property
η	0.0002078	Pa×s	519.92	Calculated Property

Similar Compounds

Find more compounds similar to 10-Undecenoic acid, propyl ester.

Sources

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

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