Chemical Properties of Succinic acid, hex-4-yn-3-yl 2-methoxy-5-methylphenyl ester

InChI

InChI=1S/C18H22O5/c1-5-7-14(6-2)22-17(19)10-11-18(20)23-16-12-13(3)8-9-15(16)21-4/h8-9,12,14H,6,10-11H2,1-4H3

InChI Key

LVGKQDCYYIKTMY-UHFFFAOYSA-N

Formula

C18H22O5

SMILES

CC#CC(CC)OC(=O)CCC(=O)Oc1cc(C)ccc1OC

Molecular Weight¹

318.36

• 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°	-178.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-556.06	kJ/mol	Joback Calculated Property
ΔfusH°	42.00	kJ/mol	Joback Calculated Property
ΔvapH°	81.75	kJ/mol	Joback Calculated Property
log10WS	-4.50		Crippen Calculated Property
logPoct/wat	3.034		Crippen Calculated Property
McVol	252.870	ml/mol	McGowan Calculated Property
Pc	1733.22	kPa	Joback Calculated Property
Inp	[2321.00; 2321.00]
Inp	2321.00		NIST
Inp	2321.00		NIST
Tboil	831.44	K	Joback Calculated Property
Tc	1048.80	K	Joback Calculated Property
Tfus	601.73	K	Joback Calculated Property
Vc	0.958	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[738.57; 808.09]	J/mol×K	[831.44; 1048.80]
Cp,gas	738.57	J/mol×K	831.44	Joback Calculated Property
Cp,gas	753.19	J/mol×K	867.67	Joback Calculated Property
Cp,gas	766.61	J/mol×K	903.89	Joback Calculated Property
Cp,gas	778.82	J/mol×K	940.12	Joback Calculated Property
Cp,gas	789.80	J/mol×K	976.35	Joback Calculated Property
Cp,gas	799.56	J/mol×K	1012.58	Joback Calculated Property
Cp,gas	808.09	J/mol×K	1048.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hex-4-yn-3-yl 2-methoxy-5-methylphenyl ester.

Sources

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

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