Chemical Properties of Succinic acid, but-3-yn-2-yl 2-isopropoxyphenyl ester

InChI

InChI=1S/C17H20O5/c1-5-13(4)21-16(18)10-11-17(19)22-15-9-7-6-8-14(15)20-12(2)3/h1,6-9,12-13H,10-11H2,2-4H3

InChI Key

NUKNIFPVDVNUCG-UHFFFAOYSA-N

Formula

C17H20O5

SMILES

C#CC(C)OC(=O)CCC(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

304.34

• 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°	-159.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-509.63	kJ/mol	Joback Calculated Property
ΔfusH°	36.13	kJ/mol	Joback Calculated Property
ΔvapH°	76.18	kJ/mol	Joback Calculated Property
log10WS	-4.13		Crippen Calculated Property
logPoct/wat	2.724		Crippen Calculated Property
McVol	238.780	ml/mol	McGowan Calculated Property
Pc	1898.60	kPa	Joback Calculated Property
Inp	[2032.00; 2032.00]
Inp	2032.00		NIST
Inp	2032.00		NIST
Tboil	784.26	K	Joback Calculated Property
Tc	998.50	K	Joback Calculated Property
Tfus	503.81	K	Joback Calculated Property
Vc	0.895	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[680.62; 751.38]	J/mol×K	[784.26; 998.50]
Cp,gas	680.62	J/mol×K	784.26	Joback Calculated Property
Cp,gas	695.14	J/mol×K	819.97	Joback Calculated Property
Cp,gas	708.56	J/mol×K	855.67	Joback Calculated Property
Cp,gas	720.89	J/mol×K	891.38	Joback Calculated Property
Cp,gas	732.13	J/mol×K	927.08	Joback Calculated Property
Cp,gas	742.29	J/mol×K	962.79	Joback Calculated Property
Cp,gas	751.38	J/mol×K	998.50	Joback Calculated Property

Similar Compounds

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

Sources

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

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