Chemical Properties of Succinic acid, tridec-2-yn-1-yl 2-methoxy-5-methylphenyl ester

InChI

InChI=1S/C25H36O5/c1-4-5-6-7-8-9-10-11-12-13-14-19-29-24(26)17-18-25(27)30-23-20-21(2)15-16-22(23)28-3/h15-16,20H,4-12,17-19H2,1-3H3

InChI Key

GKCXKDKGONFQMI-UHFFFAOYSA-N

Formula

C25H36O5

SMILES

CCCCCCCCCCC#CCOC(=O)CCC(=O)Oc1cc(C)ccc1OC

Molecular Weight¹

416.55

• 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°	-117.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-695.26	kJ/mol	Joback Calculated Property
ΔfusH°	63.65	kJ/mol	Joback Calculated Property
ΔvapH°	97.72	kJ/mol	Joback Calculated Property
log10WS	-7.32		Crippen Calculated Property
logPoct/wat	5.767		Crippen Calculated Property
McVol	351.500	ml/mol	McGowan Calculated Property
Pc	1052.77	kPa	Joback Calculated Property
Inp	[3121.00; 3121.00]
Inp	3121.00		NIST
Inp	3121.00		NIST
Tboil	992.04	K	Joback Calculated Property
Tc	1214.89	K	Joback Calculated Property
Tfus	695.62	K	Joback Calculated Property
Vc	1.355	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1153.54; 1220.15]	J/mol×K	[992.04; 1214.89]
Cp,gas	1153.54	J/mol×K	992.04	Joback Calculated Property
Cp,gas	1168.65	J/mol×K	1029.18	Joback Calculated Property
Cp,gas	1182.13	J/mol×K	1066.32	Joback Calculated Property
Cp,gas	1194.01	J/mol×K	1103.47	Joback Calculated Property
Cp,gas	1204.29	J/mol×K	1140.61	Joback Calculated Property
Cp,gas	1213.00	J/mol×K	1177.75	Joback Calculated Property
Cp,gas	1220.15	J/mol×K	1214.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, tridec-2-yn-1-yl 2-methoxy-5-methylphenyl ester.

Sources

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

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