Chemical Properties of Undec-10-ynoic acid, 3-methylbut-2-en-1-yl ester

InChI

InChI=1S/C16H26O2/c1-4-5-6-7-8-9-10-11-12-16(17)18-14-13-15(2)3/h1,13H,5-12,14H2,2-3H3

InChI Key

PDJHJYUEGLJIHR-UHFFFAOYSA-N

Formula

C16H26O2

SMILES

C#CCCCCCCCCC(=O)OCC=C(C)C

Molecular Weight¹

250.38

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	43.43	kJ/mol	Joback Calculated Property
log10WS	-4.96		Relay (1.0) Calculated Property
logPoct/wat	4.250		Crippen Calculated Property
McVol	230.840	ml/mol	McGowan Calculated Property
Inp	[1821.00; 1821.00]
Inp	1821.00		NIST
Inp	1821.00		NIST
Tboil	572.52	K	Relay (1.0) Calculated Property
Tc	755.44	K	Relay (1.0) Calculated Property
Tfus	285.30	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[602.06; 692.39]	J/mol×K	[618.06; 798.49]
Cp,gas	602.06	J/mol×K	618.06	Joback Calculated Property
Cp,gas	619.12	J/mol×K	648.13	Joback Calculated Property
Cp,gas	635.33	J/mol×K	678.20	Joback Calculated Property
Cp,gas	650.73	J/mol×K	708.27	Joback Calculated Property
Cp,gas	665.36	J/mol×K	738.34	Joback Calculated Property
Cp,gas	679.23	J/mol×K	768.41	Joback Calculated Property
Cp,gas	692.39	J/mol×K	798.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Undec-10-ynoic acid, 3-methylbut-2-en-1-yl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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