Chemical Properties of (Z)-1,3-Dimethoxypropan-2-yl docos-13-enoate

InChI

InChI=1S/C27H52O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(28)31-26(24-29-2)25-30-3/h11-12,26H,4-10,13-25H2,1-3H3/b12-11+

InChI Key

BYVHUGYWFIJQMS-QXMHVHEDSA-N

Formula

C27H52O4

SMILES

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

Molecular Weight¹

440.71

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1057.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	69.11	kJ/mol	Joback Calculated Property
ΔvapH°	137.44	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.24		Relay (1.0) Calculated Property
logPoct/wat	7.789		Crippen Calculated Property
McVol	406.170	ml/mol	McGowan Calculated Property
Pc	700.24	kPa	Joback Calculated Property
Inp	[3008.70; 3008.70]
Inp	3008.70		NIST
Inp	3008.70		NIST
Tboil	652.72	K	Relay (1.0) Calculated Property
Tc	845.66	K	Relay (1.0) Calculated Property
Tfus	276.03	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1381.56; 1491.48]	J/mol×K	[924.14; 1136.70]
Cp,gas	1381.56	J/mol×K	924.14	Joback Calculated Property
Cp,gas	1403.90	J/mol×K	959.57	Joback Calculated Property
Cp,gas	1424.56	J/mol×K	994.99	Joback Calculated Property
Cp,gas	1443.60	J/mol×K	1030.42	Joback Calculated Property
Cp,gas	1461.07	J/mol×K	1065.85	Joback Calculated Property
Cp,gas	1477.01	J/mol×K	1101.28	Joback Calculated Property
Cp,gas	1491.48	J/mol×K	1136.70	Joback Calculated Property
η	[0.0000102; 0.0004583]	Pa×s	[460.76; 924.14]
η	0.0004583	Pa×s	460.76	Joback Calculated Property
η	0.0001540	Pa×s	537.99	Joback Calculated Property
η	0.0000680	Pa×s	615.22	Joback Calculated Property
η	0.0000361	Pa×s	692.45	Joback Calculated Property
η	0.0000217	Pa×s	769.68	Joback Calculated Property
η	0.0000143	Pa×s	846.91	Joback Calculated Property
η	0.0000102	Pa×s	924.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Z)-1,3-Dimethoxypropan-2-yl docos-13-enoate.

Sources

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

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