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

InChI

InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-20-18(19)17-14-13-15-17/h17H,2-10,13-16H2,1H3

InChI Key

OYRRXIIIFQRANS-UHFFFAOYSA-N

Formula

C18H30O2

SMILES

CCCCCCCCCCC#CCOC(=O)C1CCC1

Molecular Weight¹

278.43

• 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°	118.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-320.71	kJ/mol	Joback Calculated Property
ΔfusH°	44.32	kJ/mol	Joback Calculated Property
ΔvapH°	67.06	kJ/mol	Joback Calculated Property
log10WS	-5.67		Crippen Calculated Property
logPoct/wat	4.864		Crippen Calculated Property
McVol	252.460	ml/mol	McGowan Calculated Property
Pc	1496.51	kPa	Joback Calculated Property
Inp	[2050.00; 2050.00]
Inp	2050.00		NIST
Inp	2050.00		NIST
Tboil	707.54	K	Joback Calculated Property
Tc	901.35	K	Joback Calculated Property
Tfus	485.30	K	Joback Calculated Property
Vc	0.979	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[735.83; 836.63]	J/mol×K	[707.54; 901.35]
Cp,gas	735.83	J/mol×K	707.54	Joback Calculated Property
Cp,gas	755.06	J/mol×K	739.84	Joback Calculated Property
Cp,gas	773.27	J/mol×K	772.14	Joback Calculated Property
Cp,gas	790.50	J/mol×K	804.44	Joback Calculated Property
Cp,gas	806.77	J/mol×K	836.75	Joback Calculated Property
Cp,gas	822.14	J/mol×K	869.05	Joback Calculated Property
Cp,gas	836.63	J/mol×K	901.35	Joback Calculated Property

Similar Compounds

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

Sources

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

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