Chemical Properties of Glutaric acid, 3-methylbut-2-yl dodec-9-yn-1-yl ester

InChI

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

InChI Key

AZRYTSKRSDZAJQ-UHFFFAOYSA-N

Formula

C22H38O4

SMILES

CCC#CCCCCCCCCOC(=O)CCCC(=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	0.9319		Relay (1.0) Calculated Property
ΔfG°	-135.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-875.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.39	kJ/mol	Joback Calculated Property
ΔvapH°	99.15	kJ/mol	Relay (1.0) Calculated Property
IE	9.07	eV	Relay (1.0) Calculated Property
log10WS	-4.92		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	[2516.00; 2516.00]
Inp	2516.00		NIST
Inp	2516.00		NIST
Tboil	617.25	K	Relay (1.0) Calculated Property
Tc	810.66	K	Relay (1.0) Calculated Property
Tfus	280.93	K	Relay (1.0) Calculated Property
Vc	1.203	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 Glutaric acid, 3-methylbut-2-yl dodec-9-yn-1-yl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.