Chemical Properties of (6Z,9Z,12Z)-1,3-Dimethoxypropan-2-yl octadeca-6,9,12-trienoate

InChI

InChI=1S/C23H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(24)27-22(20-25-2)21-26-3/h8-9,11-12,14-15,22H,4-7,10,13,16-21H2,1-3H3/b9-8-,12-11-,15-14-

InChI Key

VIKUDDUNJKSMIM-ORZIMQNZSA-N

Formula

C23H40O4

SMILES

CCCCCC=CCC=CCC=CCCCCC(=O)OC(COC)COC

Molecular Weight¹

380.56

• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-62.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-680.91	kJ/mol	Joback Calculated Property
ΔfusH°	57.57	kJ/mol	Joback Calculated Property
ΔvapH°	80.25	kJ/mol	Joback Calculated Property
log10WS	-6.16		Crippen Calculated Property
logPoct/wat	5.781		Crippen Calculated Property
McVol	341.210	ml/mol	McGowan Calculated Property
Pc	946.75	kPa	Joback Calculated Property
Inp	[2578.80; 2578.80]
Inp	2578.80		NIST
Inp	2578.80		NIST
Tboil	858.81	K	Joback Calculated Property
Tc	1052.68	K	Joback Calculated Property
Tfus	435.35	K	Joback Calculated Property
Vc	1.317	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1083.66; 1182.75]	J/mol×K	[858.81; 1052.68]
Cp,gas	1083.66	J/mol×K	858.81	Joback Calculated Property
Cp,gas	1102.70	J/mol×K	891.12	Joback Calculated Property
Cp,gas	1120.66	J/mol×K	923.43	Joback Calculated Property
Cp,gas	1137.61	J/mol×K	955.74	Joback Calculated Property
Cp,gas	1153.57	J/mol×K	988.06	Joback Calculated Property
Cp,gas	1168.60	J/mol×K	1020.37	Joback Calculated Property
Cp,gas	1182.75	J/mol×K	1052.68	Joback Calculated Property
η	[0.0000164; 0.0005205]	Pa×s	[435.35; 858.81]
η	0.0005205	Pa×s	435.35	Joback Calculated Property
η	0.0001956	Pa×s	505.93	Joback Calculated Property
η	0.0000934	Pa×s	576.50	Joback Calculated Property
η	0.0000524	Pa×s	647.08	Joback Calculated Property
η	0.0000329	Pa×s	717.66	Joback Calculated Property
η	0.0000225	Pa×s	788.23	Joback Calculated Property
η	0.0000164	Pa×s	858.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to (6Z,9Z,12Z)-1,3-Dimethoxypropan-2-yl octadeca-6,9,12-trienoate.

Sources

• 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.