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

InChI

InChI=1S/C25H36O4/c1-4-5-6-7-8-9-10-11-12-15-20-28-24(26)18-19-25(27)29-23-17-14-13-16-22(23)21(2)3/h12-19,21H,4-11,20H2,1-3H3/b15-12+,19-18+

InChI Key

BVUIZCVUPIUNBZ-AHSPQICUSA-N

Formula

C25H36O4

SMILES

CCCCCCCCCC=CCOC(=O)C=CC(=O)Oc1ccccc1C(C)C

Molecular Weight¹

400.55

• 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°	-47.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-594.71	kJ/mol	Joback Calculated Property
ΔfusH°	56.61	kJ/mol	Joback Calculated Property
ΔvapH°	92.02	kJ/mol	Joback Calculated Property
log10WS	-7.40		Crippen Calculated Property
logPoct/wat	6.512		Crippen Calculated Property
McVol	345.630	ml/mol	McGowan Calculated Property
Pc	1041.93	kPa	Joback Calculated Property
Inp	[2851.00; 2851.00]
Inp	2851.00		NIST
Inp	2851.00		NIST
Tboil	963.52	K	Joback Calculated Property
Tc	1181.02	K	Joback Calculated Property
Tfus	529.61	K	Joback Calculated Property
Vc	1.329	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1125.25; 1208.50]	J/mol×K	[963.52; 1181.02]
Cp,gas	1125.25	J/mol×K	963.52	Joback Calculated Property
Cp,gas	1141.85	J/mol×K	999.77	Joback Calculated Property
Cp,gas	1157.26	J/mol×K	1036.02	Joback Calculated Property
Cp,gas	1171.56	J/mol×K	1072.27	Joback Calculated Property
Cp,gas	1184.82	J/mol×K	1108.52	Joback Calculated Property
Cp,gas	1197.10	J/mol×K	1144.77	Joback Calculated Property
Cp,gas	1208.50	J/mol×K	1181.02	Joback Calculated Property
η	[0.0000186; 0.0003274]	Pa×s	[529.61; 963.52]
η	0.0003274	Pa×s	529.61	Joback Calculated Property
η	0.0001523	Pa×s	601.93	Joback Calculated Property
η	0.0000835	Pa×s	674.25	Joback Calculated Property
η	0.0000514	Pa×s	746.57	Joback Calculated Property
η	0.0000345	Pa×s	818.88	Joback Calculated Property
η	0.0000247	Pa×s	891.20	Joback Calculated Property
η	0.0000186	Pa×s	963.52	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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