Chemical Properties of Fumaric acid, 3-phenylpropyl dodec-2-en-1-yl ester

InChI

InChI=1S/C25H36O4/c1-2-3-4-5-6-7-8-9-10-14-21-28-24(26)19-20-25(27)29-22-15-18-23-16-12-11-13-17-23/h10-14,16-17,19-20H,2-9,15,18,21-22H2,1H3/b14-10+,20-19+

InChI Key

MHYIYWBULBBIGN-PVLGCOFDSA-N

Formula

C25H36O4

SMILES

CCCCCCCCCC=CCOC(=O)C=CC(=O)OCCCc1ccccc1

Molecular Weight¹

400.55

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

Physical Properties

Property	Value	Unit	Source
ω	1.0415		Relay (1.0) Calculated Property
ΔfH°gas	-757.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.69	kJ/mol	Joback Calculated Property
ΔvapH°	126.22	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
log10WS	-6.93		Relay (1.0) Calculated Property
logPoct/wat	5.959		Crippen Calculated Property
McVol	345.630	ml/mol	McGowan Calculated Property
Pc	993.25	kPa	Joback Calculated Property
Inp	[3016.00; 3016.00]
Inp	3016.00		NIST
Inp	3016.00		NIST
Tboil	673.86	K	Relay (1.0) Calculated Property
Tc	874.55	K	Relay (1.0) Calculated Property
Tfus	287.40	K	Relay (1.0) Calculated Property
Vc	1.242	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation 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	[1110.71; 1193.08]	J/mol×K	[923.04; 1132.11]
Cp,gas	1110.71	J/mol×K	923.04	Joback Calculated Property
Cp,gas	1127.26	J/mol×K	957.89	Joback Calculated Property
Cp,gas	1142.58	J/mol×K	992.73	Joback Calculated Property
Cp,gas	1156.75	J/mol×K	1027.58	Joback Calculated Property
Cp,gas	1169.84	J/mol×K	1062.42	Joback Calculated Property
Cp,gas	1181.92	J/mol×K	1097.27	Joback Calculated Property
Cp,gas	1193.08	J/mol×K	1132.11	Joback Calculated Property
η	[0.0000151; 0.0005239]	Pa×s	[472.43; 923.04]
η	0.0005239	Pa×s	472.43	Joback Calculated Property
η	0.0001935	Pa×s	547.53	Joback Calculated Property
η	0.0000909	Pa×s	622.63	Joback Calculated Property
η	0.0000502	Pa×s	697.74	Joback Calculated Property
η	0.0000312	Pa×s	772.84	Joback Calculated Property
η	0.0000210	Pa×s	847.94	Joback Calculated Property
η	0.0000151	Pa×s	923.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 3-phenylpropyl dodec-2-en-1-yl ester.

Sources

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

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