Chemical Properties of Succinic acid, 3-methylbut-2-yl non-5-yn-3-yl ester

InChI

InChI=1S/C18H30O4/c1-6-8-9-10-11-16(7-2)22-18(20)13-12-17(19)21-15(5)14(3)4/h14-16H,6-8,11-13H2,1-5H3

InChI Key

DBVNUKRTGQHKMA-UHFFFAOYSA-N

Formula

C18H30O4

SMILES

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

Molecular Weight¹

310.43

• 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	0.7272		Relay (1.0) Calculated Property
ΔfG°	-171.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-784.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.50	kJ/mol	Joback Calculated Property
ΔvapH°	86.01	kJ/mol	Relay (1.0) Calculated Property
IE	9.28	eV	Relay (1.0) Calculated Property
log10WS	-3.74		Relay (1.0) Calculated Property
logPoct/wat	3.870		Crippen Calculated Property
McVol	270.760	ml/mol	McGowan Calculated Property
Pc	1402.74	kPa	Joback Calculated Property
Inp	[1988.00; 1988.00]
Inp	1988.00		NIST
Inp	1988.00		NIST
Tboil	567.30	K	Relay (1.0) Calculated Property
Tc	754.46	K	Relay (1.0) Calculated Property
Tfus	255.84	K	Relay (1.0) Calculated Property
Vc	0.976	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[803.50; 891.84]	J/mol×K	[771.50; 966.35]
Cp,gas	803.50	J/mol×K	771.50	Joback Calculated Property
Cp,gas	820.75	J/mol×K	803.98	Joback Calculated Property
Cp,gas	836.98	J/mol×K	836.45	Joback Calculated Property
Cp,gas	852.19	J/mol×K	868.93	Joback Calculated Property
Cp,gas	866.40	J/mol×K	901.40	Joback Calculated Property
Cp,gas	879.61	J/mol×K	933.88	Joback Calculated Property
Cp,gas	891.84	J/mol×K	966.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-yl non-5-yn-3-yl ester.

Sources

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

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