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

InChI

InChI=1S/C22H38O4/c1-5-6-7-8-9-10-11-12-13-14-15-18-25-21(23)16-17-22(24)26-20(4)19(2)3/h19-20H,5-13,16-18H2,1-4H3

InChI Key

XCHAHRFCZNXGEG-UHFFFAOYSA-N

Formula

C22H38O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCC(=O)OC(C)C(C)C

Molecular Weight¹

366.53

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.9305		Relay (... Calculated Property
ΔfG°	-135.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-853.37	kJ/mol	Relay (... Calculated Property
ΔfusH°	54.39	kJ/mol	Joback Calculated Property
ΔvapH°	103.23	kJ/mol	Relay (... Calculated Property
IE	9.34	eV	Relay (... Calculated Property
log10WS	-5.71		Relay (... Calculated Property
logPoct/wat	5.432		Crippen Calculated Property
McVol	327.120	ml/mol	McGowan Calculated Property
Pc	1066.57	kPa	Joback Calculated Property
Inp	[2525.00; 2525.00]
Inp	2525.00		NIST
Inp	2525.00		NIST
Tboil	609.30	K	Relay (... Calculated Property
Tc	802.77	K	Relay (... Calculated Property
Tfus	285.40	K	Relay (... Calculated Property
Vc	1.202	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1041.86; 1132.95]	J/mol×K	[863.46; 1060.75]
Cp,gas	1041.86	J/mol×K	863.46	Joback Calculated Property
Cp,gas	1059.98	J/mol×K	896.34	Joback Calculated Property
Cp,gas	1076.90	J/mol×K	929.22	Joback Calculated Property
Cp,gas	1092.63	J/mol×K	962.11	Joback Calculated Property
Cp,gas	1107.20	J/mol×K	994.99	Joback Calculated Property
Cp,gas	1120.63	J/mol×K	1027.87	Joback Calculated Property
Cp,gas	1132.95	J/mol×K	1060.75	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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