Chemical Properties of Fumaric acid, 2,4-dimethylpent-3-yl tridecyl ester

InChI

InChI=1S/C24H44O4/c1-6-7-8-9-10-11-12-13-14-15-16-19-27-22(25)17-18-23(26)28-24(20(2)3)21(4)5/h17-18,20-21,24H,6-16,19H2,1-5H3/b18-17+

InChI Key

BLSQXBNOSWJHOM-ISLYRVAYSA-N

Formula

C24H44O4

SMILES

CCCCCCCCCCCCCOC(=O)C=CC(=O)OC(C(C)C)C(C)C

Molecular Weight¹

396.60

• ω : Acentric Factor.
• 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).
• 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	1.0635		Relay (1.0) Calculated Property
ΔfG°	-243.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-1061.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.12	kJ/mol	Joback Calculated Property
ΔvapH°	108.26	kJ/mol	Relay (1.0) Calculated Property
IE	9.88	eV	Relay (1.0) Calculated Property
log10WS	-7.07		Relay (1.0) Calculated Property
logPoct/wat	6.621		Crippen Calculated Property
McVol	359.600	ml/mol	McGowan Calculated Property
Pc	888.94	kPa	Joback Calculated Property
Inp	[2626.00; 2626.00]
Inp	2626.00		NIST
Inp	2626.00		NIST
Tboil	629.65	K	Relay (1.0) Calculated Property
Tc	804.42	K	Relay (1.0) Calculated Property
Tfus	283.87	K	Relay (1.0) Calculated Property
Vc	1.321	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1191.81; 1289.48]	J/mol×K	[903.94; 1106.68]
Cp,gas	1191.81	J/mol×K	903.94	Joback Calculated Property
Cp,gas	1211.22	J/mol×K	937.73	Joback Calculated Property
Cp,gas	1229.31	J/mol×K	971.52	Joback Calculated Property
Cp,gas	1246.14	J/mol×K	1005.31	Joback Calculated Property
Cp,gas	1261.75	J/mol×K	1039.10	Joback Calculated Property
Cp,gas	1276.18	J/mol×K	1072.89	Joback Calculated Property
Cp,gas	1289.48	J/mol×K	1106.68	Joback Calculated Property
η	[0.0000196; 0.0008059]	Pa×s	[454.48; 903.94]
η	0.0008059	Pa×s	454.48	Joback Calculated Property
η	0.0002799	Pa×s	529.39	Joback Calculated Property
η	0.0001264	Pa×s	604.30	Joback Calculated Property
η	0.0000680	Pa×s	679.21	Joback Calculated Property
η	0.0000414	Pa×s	754.12	Joback Calculated Property
η	0.0000275	Pa×s	829.03	Joback Calculated Property
η	0.0000196	Pa×s	903.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,4-dimethylpent-3-yl tridecyl 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.