Chemical Properties of Succinic acid, hex-4-yn-3-yl 3,3-dimethylbut-2-yl ester

InChI

InChI=1S/C16H26O4/c1-7-9-13(8-2)20-15(18)11-10-14(17)19-12(3)16(4,5)6/h12-13H,8,10-11H2,1-6H3

InChI Key

IHIFITNCJSCRFM-UHFFFAOYSA-N

Formula

C16H26O4

SMILES

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

Molecular Weight¹

282.38

• ω : Acentric Factor.
• 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).
• 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	0.6252		Relay (1.0) Calculated Property
ΔfG°	-183.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-738.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.43	kJ/mol	Joback Calculated Property
ΔvapH°	77.00	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	-3.56		Relay (1.0) Calculated Property
logPoct/wat	3.089		Crippen Calculated Property
McVol	242.580	ml/mol	McGowan Calculated Property
Pc	1643.09	kPa	Joback Calculated Property
Inp	[1784.00; 1784.00]
Inp	1784.00		NIST
Inp	1784.00		NIST
Tboil	539.02	K	Relay (1.0) Calculated Property
Tc	734.22	K	Relay (1.0) Calculated Property
Tfus	315.69	K	Relay (1.0) Calculated Property
Vc	0.859	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[691.25; 777.66]	J/mol×K	[722.95; 925.17]
Cp,gas	691.25	J/mol×K	722.95	Joback Calculated Property
Cp,gas	708.09	J/mol×K	756.65	Joback Calculated Property
Cp,gas	723.92	J/mol×K	790.36	Joback Calculated Property
Cp,gas	738.77	J/mol×K	824.06	Joback Calculated Property
Cp,gas	752.66	J/mol×K	857.76	Joback Calculated Property
Cp,gas	765.62	J/mol×K	891.47	Joback Calculated Property
Cp,gas	777.66	J/mol×K	925.17	Joback Calculated Property

Similar Compounds

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

Sources

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

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