Chemical Properties of 2,2-Dimethylpropanoic acid, tridec-2-ynyl ester

InChI

InChI=1S/C18H32O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-17(19)18(2,3)4/h5-13,16H2,1-4H3

InChI Key

TWCYLXORKMQJIN-UHFFFAOYSA-N

Formula

C18H32O2

SMILES

CCCCCCCCCCC#CCOC(=O)C(C)(C)C

Molecular Weight¹

280.45

• 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°	72.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-396.10	kJ/mol	Joback Calculated Property
ΔfusH°	40.87	kJ/mol	Joback Calculated Property
ΔvapH°	65.67	kJ/mol	Joback Calculated Property
log10WS	-5.77		Crippen Calculated Property
logPoct/wat	5.110		Crippen Calculated Property
McVol	263.320	ml/mol	McGowan Calculated Property
Pc	1350.65	kPa	Joback Calculated Property
Inp	[1865.00; 1865.00]
Inp	1865.00		NIST
Inp	1865.00		NIST
Tboil	693.30	K	Joback Calculated Property
Tc	880.54	K	Joback Calculated Property
Tfus	473.30	K	Joback Calculated Property
Vc	1.018	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[748.99; 847.94]	J/mol×K	[693.30; 880.54]
Cp,gas	748.99	J/mol×K	693.30	Joback Calculated Property
Cp,gas	767.76	J/mol×K	724.51	Joback Calculated Property
Cp,gas	785.58	J/mol×K	755.71	Joback Calculated Property
Cp,gas	802.47	J/mol×K	786.92	Joback Calculated Property
Cp,gas	818.47	J/mol×K	818.13	Joback Calculated Property
Cp,gas	833.62	J/mol×K	849.33	Joback Calculated Property
Cp,gas	847.94	J/mol×K	880.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2-Dimethylpropanoic acid, tridec-2-ynyl ester.

Sources

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

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