Chemical Properties of Succinic acid, tridec-2-yn-1-yl 2,3-dimethylphenyl ester

InChI

InChI=1S/C25H36O4/c1-4-5-6-7-8-9-10-11-12-13-14-20-28-24(26)18-19-25(27)29-23-17-15-16-21(2)22(23)3/h15-17H,4-12,18-20H2,1-3H3

InChI Key

ZNRVSYYMIAMKIB-UHFFFAOYSA-N

Formula

C25H36O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCC(=O)Oc1cccc(C)c1C

Molecular Weight¹

400.55

• 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°	-12.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-563.04	kJ/mol	Joback Calculated Property
ΔfusH°	62.46	kJ/mol	Joback Calculated Property
ΔvapH°	95.31	kJ/mol	Joback Calculated Property
log10WS	-7.67		Crippen Calculated Property
logPoct/wat	6.066		Crippen Calculated Property
McVol	345.630	ml/mol	McGowan Calculated Property
Pc	1064.48	kPa	Joback Calculated Property
Inp	[3066.00; 3066.00]
Inp	3066.00		NIST
Inp	3066.00		NIST
Tboil	969.62	K	Joback Calculated Property
Tc	1188.61	K	Joback Calculated Property
Tfus	673.39	K	Joback Calculated Property
Vc	1.337	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1124.99; 1200.07]	J/mol×K	[969.62; 1188.61]
Cp,gas	1124.99	J/mol×K	969.62	Joback Calculated Property
Cp,gas	1140.99	J/mol×K	1006.12	Joback Calculated Property
Cp,gas	1155.55	J/mol×K	1042.62	Joback Calculated Property
Cp,gas	1168.71	J/mol×K	1079.11	Joback Calculated Property
Cp,gas	1180.49	J/mol×K	1115.61	Joback Calculated Property
Cp,gas	1190.93	J/mol×K	1152.11	Joback Calculated Property
Cp,gas	1200.07	J/mol×K	1188.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, tridec-2-yn-1-yl 2,3-dimethylphenyl ester.

Sources

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

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