Chemical Properties of Undec-10-ynoic acid, 4-methyl-2-pentyl ester

InChI

InChI=1S/C17H30O2/c1-5-6-7-8-9-10-11-12-13-17(18)19-16(4)14-15(2)3/h1,15-16H,6-14H2,2-4H3

InChI Key

BYXWOWQRJAMVFW-UHFFFAOYSA-N

Formula

C17H30O2

SMILES

C#CCCCCCCCCC(=O)OC(C)CC(C)C

Molecular Weight¹

266.42

• 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°	76.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-357.67	kJ/mol	Joback Calculated Property
ΔfusH°	38.50	kJ/mol	Joback Calculated Property
ΔvapH°	61.67	kJ/mol	Joback Calculated Property
log10WS	-5.47		Crippen Calculated Property
logPoct/wat	4.718		Crippen Calculated Property
McVol	249.230	ml/mol	McGowan Calculated Property
Pc	1434.80	kPa	Joback Calculated Property
Inp	[1776.00; 1776.00]
Inp	1776.00		NIST
Inp	1776.00		NIST
Tboil	653.89	K	Joback Calculated Property
Tc	832.78	K	Joback Calculated Property
Tfus	370.48	K	Joback Calculated Property
Vc	0.962	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[685.61; 781.55]	J/mol×K	[653.89; 832.78]
Cp,gas	685.61	J/mol×K	653.89	Joback Calculated Property
Cp,gas	703.64	J/mol×K	683.70	Joback Calculated Property
Cp,gas	720.83	J/mol×K	713.52	Joback Calculated Property
Cp,gas	737.19	J/mol×K	743.33	Joback Calculated Property
Cp,gas	752.75	J/mol×K	773.15	Joback Calculated Property
Cp,gas	767.53	J/mol×K	802.96	Joback Calculated Property
Cp,gas	781.55	J/mol×K	832.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Undec-10-ynoic acid, 4-methyl-2-pentyl ester.

Sources

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

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