Chemical Properties of Fumaric acid, heptadecyl trans-hex-3-enyl ester

InChI

InChI=1S/C27H48O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-25-31-27(29)23-22-26(28)30-24-20-8-6-4-2/h6,8,22-23H,3-5,7,9-21,24-25H2,1-2H3/b8-6-,23-22+

InChI Key

WUNDBFSYURGPIV-FHKQEHFBSA-N

Formula

C27H48O4

SMILES

CC/C=C/CCOC(=O)/C=C/C(=O)OCCCCCCCCCCCCCCCCC

Molecular Weight¹

436.68

• 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).
• 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
ΔfH°gas	-1018.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	71.66	kJ/mol	Joback Calculated Property
ΔvapH°	134.75	kJ/mol	Relay (1.0) Calculated Property
IE	9.60	eV	Relay (1.0) Calculated Property
log10WS	-8.43		Relay (1.0) Calculated Property
logPoct/wat	7.857		Crippen Calculated Property
McVol	397.570	ml/mol	McGowan Calculated Property
Pc	765.64	kPa	Joback Calculated Property
Inp	[3076.00; 3076.00]
Inp	3076.00		NIST
Inp	3076.00		NIST
Tboil	660.85	K	Relay (1.0) Calculated Property
Tc	841.57	K	Relay (1.0) Calculated Property
Tfus	294.62	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[1353.80; 1459.30]	J/mol×K	[978.06; 1203.84]
Cp,gas	1353.80	J/mol×K	978.06	Joback Calculated Property
Cp,gas	1374.69	J/mol×K	1015.69	Joback Calculated Property
Cp,gas	1394.13	J/mol×K	1053.32	Joback Calculated Property
Cp,gas	1412.23	J/mol×K	1090.95	Joback Calculated Property
Cp,gas	1429.06	J/mol×K	1128.58	Joback Calculated Property
Cp,gas	1444.72	J/mol×K	1166.21	Joback Calculated Property
Cp,gas	1459.30	J/mol×K	1203.84	Joback Calculated Property
η	[0.0000142; 0.0003108]	Pa×s	[528.21; 978.06]
η	0.0003108	Pa×s	528.21	Joback Calculated Property
η	0.0001350	Pa×s	603.19	Joback Calculated Property
η	0.0000706	Pa×s	678.16	Joback Calculated Property
η	0.0000419	Pa×s	753.13	Joback Calculated Property
η	0.0000274	Pa×s	828.11	Joback Calculated Property
η	0.0000192	Pa×s	903.09	Joback Calculated Property
η	0.0000142	Pa×s	978.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, heptadecyl trans-hex-3-enyl ester.

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.