Chemical Properties of Fumaric acid, 2,4,4-trimethylpentyl hex-4-yn-3-yl ester

InChI

InChI=1S/C18H28O4/c1-7-9-15(8-2)22-17(20)11-10-16(19)21-13-14(3)12-18(4,5)6/h10-11,14-15H,8,12-13H2,1-6H3/b11-10+

InChI Key

YDESRAGTKNNVKN-ZHACJKMWSA-N

Formula

C18H28O4

SMILES

CC#CC(CC)OC(=O)C=CC(=O)OCC(C)CC(C)(C)C

Molecular Weight¹

308.41

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	-86.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-534.24	kJ/mol	Joback Calculated Property
ΔfusH°	36.81	kJ/mol	Joback Calculated Property
ΔvapH°	74.01	kJ/mol	Joback Calculated Property
log10WS	-4.36		Crippen Calculated Property
logPoct/wat	3.503		Crippen Calculated Property
McVol	266.460	ml/mol	McGowan Calculated Property
Pc	1471.36	kPa	Joback Calculated Property
Inp	[2002.00; 2002.00]
Inp	2002.00		NIST
Inp	2002.00		NIST
Tboil	772.87	K	Joback Calculated Property
Tc	977.74	K	Joback Calculated Property
Tfus	510.38	K	Joback Calculated Property
Vc	1.010	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[779.96; 866.43]	J/mol×K	[772.87; 977.74]
Cp,gas	779.96	J/mol×K	772.87	Joback Calculated Property
Cp,gas	796.84	J/mol×K	807.02	Joback Calculated Property
Cp,gas	812.68	J/mol×K	841.16	Joback Calculated Property
Cp,gas	827.52	J/mol×K	875.31	Joback Calculated Property
Cp,gas	841.40	J/mol×K	909.45	Joback Calculated Property
Cp,gas	854.35	J/mol×K	943.60	Joback Calculated Property
Cp,gas	866.43	J/mol×K	977.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,4,4-trimethylpentyl hex-4-yn-3-yl ester.

Sources

• 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.