Chemical Properties of Succinic acid, but-3-yn-2-yl 3-methylbut-3-en-1-yl ester

InChI

InChI=1S/C13H18O4/c1-5-11(4)17-13(15)7-6-12(14)16-9-8-10(2)3/h1,11H,2,6-9H2,3-4H3

InChI Key

GUJVOUIORAWIPO-UHFFFAOYSA-N

Formula

C13H18O4

SMILES

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

Molecular Weight¹

238.28

• 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°	-109.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-398.99	kJ/mol	Joback Calculated Property
ΔfusH°	31.86	kJ/mol	Joback Calculated Property
ΔvapH°	61.72	kJ/mol	Joback Calculated Property
log10WS	-2.75		Crippen Calculated Property
logPoct/wat	1.841		Crippen Calculated Property
McVol	196.010	ml/mol	McGowan Calculated Property
Pc	2121.68	kPa	Joback Calculated Property
Inp	[1566.00; 1566.00]
Inp	1566.00		NIST
Inp	1566.00		NIST
Tboil	635.66	K	Joback Calculated Property
Tc	829.65	K	Joback Calculated Property
Tfus	396.84	K	Joback Calculated Property
Vc	0.750	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[501.46; 574.61]	J/mol×K	[635.66; 829.65]
Cp,gas	501.46	J/mol×K	635.66	Joback Calculated Property
Cp,gas	515.41	J/mol×K	667.99	Joback Calculated Property
Cp,gas	528.64	J/mol×K	700.32	Joback Calculated Property
Cp,gas	541.16	J/mol×K	732.65	Joback Calculated Property
Cp,gas	552.99	J/mol×K	764.98	Joback Calculated Property
Cp,gas	564.14	J/mol×K	797.32	Joback Calculated Property
Cp,gas	574.61	J/mol×K	829.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, but-3-yn-2-yl 3-methylbut-3-en-1-yl ester.

Sources

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

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