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

InChI

InChI=1S/C27H34O4/c1-2-3-4-5-6-7-8-9-10-11-14-21-30-26(28)19-20-27(29)31-25-18-17-23-15-12-13-16-24(23)22-25/h12-13,15-18,22H,2-10,19-21H2,1H3

InChI Key

DXNUIJNUJXTUDK-UHFFFAOYSA-N

Formula

C27H34O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCC(=O)Oc1ccc2ccccc2c1

Molecular Weight¹

422.56

• 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°	120.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-401.78	kJ/mol	Joback Calculated Property
ΔfusH°	65.05	kJ/mol	Joback Calculated Property
ΔvapH°	100.74	kJ/mol	Joback Calculated Property
log10WS	-8.53		Crippen Calculated Property
logPoct/wat	6.603		Crippen Calculated Property
McVol	354.350	ml/mol	McGowan Calculated Property
Pc	1113.34	kPa	Joback Calculated Property
Inp	[3473.00; 3473.00]
Inp	3473.00		NIST
Inp	3473.00		NIST
Tboil	1029.38	K	Joback Calculated Property
Tc	1261.43	K	Joback Calculated Property
Tfus	716.11	K	Joback Calculated Property
Vc	1.371	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1166.24; 1240.17]	J/mol×K	[1029.38; 1261.43]
Cp,gas	1166.24	J/mol×K	1029.38	Joback Calculated Property
Cp,gas	1181.39	J/mol×K	1068.06	Joback Calculated Property
Cp,gas	1195.29	J/mol×K	1106.73	Joback Calculated Property
Cp,gas	1208.04	J/mol×K	1145.41	Joback Calculated Property
Cp,gas	1219.71	J/mol×K	1184.08	Joback Calculated Property
Cp,gas	1230.39	J/mol×K	1222.76	Joback Calculated Property
Cp,gas	1240.17	J/mol×K	1261.43	Joback Calculated Property

Similar Compounds

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

Sources

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

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