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_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°	144.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-219.04	kJ/mol	Joback Calculated Property
ΔfusH°	41.85	kJ/mol	Joback Calculated Property
ΔvapH°	60.26	kJ/mol	Joback Calculated Property
log10WS	-5.03		Crippen Calculated Property
logPoct/wat	4.250		Crippen Calculated Property
McVol	230.840	ml/mol	McGowan Calculated Property
Pc	1596.17	kPa	Joback Calculated Property
Inp	[1821.00; 1821.00]
Inp	1821.00		NIST
Inp	1821.00		NIST
Tboil	635.93	K	Joback Calculated Property
Tc	818.69	K	Joback Calculated Property
Tfus	370.17	K	Joback Calculated Property
Vc	0.898	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[609.07; 698.32]	J/mol×K	[635.93; 818.69]
Cp,gas	609.07	J/mol×K	635.93	Joback Calculated Property
Cp,gas	625.85	J/mol×K	666.39	Joback Calculated Property
Cp,gas	641.83	J/mol×K	696.85	Joback Calculated Property
Cp,gas	657.03	J/mol×K	727.31	Joback Calculated Property
Cp,gas	671.49	J/mol×K	757.77	Joback Calculated Property
Cp,gas	685.25	J/mol×K	788.23	Joback Calculated Property
Cp,gas	698.32	J/mol×K	818.69	Joback Calculated Property

Similar Compounds

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

Sources

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

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