Chemical Properties of Succinic acid, 2-methylpent-3-yl dodec-9-yn-1-yl ester

InChI

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

InChI Key

RZRZIYLVQHSLRC-UHFFFAOYSA-N

Formula

C22H38O4

SMILES

CCC#CCCCCCCCCOC(=O)CCC(=O)OC(CC)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	0.9201		Relay (1.0) Calculated Property
ΔfG°	-135.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-864.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.39	kJ/mol	Joback Calculated Property
ΔvapH°	100.90	kJ/mol	Relay (1.0) Calculated Property
IE	9.10	eV	Relay (1.0) Calculated Property
log10WS	-5.13		Relay (1.0) 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	[2504.00; 2504.00]
Inp	2504.00		NIST
Inp	2504.00		NIST
Tboil	618.51	K	Relay (1.0) Calculated Property
Tc	809.30	K	Relay (1.0) Calculated Property
Tfus	276.79	K	Relay (1.0) Calculated Property
Vc	1.192	m3/kmol	Relay (1.0) 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, 2-methylpent-3-yl dodec-9-yn-1-yl ester.

Sources

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

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