Chemical Properties of i-Propyl 9-octadecenoate

InChI

InChI=1S/C21H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h11-12,20H,4-10,13-19H2,1-3H3/b12-11-

InChI Key

PZQSQRCNMZGWFT-QXMHVHEDSA-N

Formula

C21H40O2

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OC(C)C

Molecular Weight¹

324.55

Other Names

• Octadecenoic acid, 1-methylethyl 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8938		Relay (1.0) Calculated Property
ΔfG°	-106.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-733.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.19	kJ/mol	Joback Calculated Property
ΔvapH°	103.64	kJ/mol	Relay (1.0) Calculated Property
IE	9.02	eV	Relay (1.0) Calculated Property
log10WS	-6.58		Relay (1.0) Calculated Property
logPoct/wat	6.976		Crippen Calculated Property
McVol	309.890	ml/mol	McGowan Calculated Property
Pc	995.76	kPa	Joback Calculated Property
Inp	[2192.00; 2192.00]
Inp	2192.00		NIST
Inp	2192.00		NIST
Tboil	575.87	K	Relay (1.0) Calculated Property
Tc	775.02	K	Relay (1.0) Calculated Property
Tfus	256.30	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[936.74; 1041.56]	J/mol×K	[742.02; 916.61]
Cp,gas	936.74	J/mol×K	742.02	Joback Calculated Property
Cp,gas	956.56	J/mol×K	771.12	Joback Calculated Property
Cp,gas	975.40	J/mol×K	800.22	Joback Calculated Property
Cp,gas	993.29	J/mol×K	829.31	Joback Calculated Property
Cp,gas	1010.25	J/mol×K	858.41	Joback Calculated Property
Cp,gas	1026.33	J/mol×K	887.51	Joback Calculated Property
Cp,gas	1041.56	J/mol×K	916.61	Joback Calculated Property
η	[0.0000455; 0.0027225]	Pa×s	[348.68; 742.02]
η	0.0027225	Pa×s	348.68	Joback Calculated Property
η	0.0008024	Pa×s	414.24	Joback Calculated Property
η	0.0003302	Pa×s	479.79	Joback Calculated Property
η	0.0001683	Pa×s	545.35	Joback Calculated Property
η	0.0000991	Pa×s	610.91	Joback Calculated Property
η	0.0000646	Pa×s	676.46	Joback Calculated Property
η	0.0000455	Pa×s	742.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to i-Propyl 9-octadecenoate.

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.
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