Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, tridec-2-yn-1-yl ester

InChI

InChI=1S/C23H32O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-25-23(24)22-19-21(22)20-16-13-12-14-17-20/h12-14,16-17,21-22H,2-10,18-19H2,1H3

InChI Key

KXPCSKONBZEVBF-UHFFFAOYSA-N

Formula

C23H32O2

SMILES

CCCCCCCCCCC#CCOC(=O)C1CC1c1ccccc1

Molecular Weight¹

340.50

• 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°	277.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-201.56	kJ/mol	Joback Calculated Property
ΔfusH°	54.48	kJ/mol	Joback Calculated Property
ΔvapH°	79.98	kJ/mol	Joback Calculated Property
log10WS	-6.83		Crippen Calculated Property
logPoct/wat	5.868		Crippen Calculated Property
McVol	299.150	ml/mol	McGowan Calculated Property
Pc	1282.83	kPa	Joback Calculated Property
Inp	[2698.00; 2698.00]
Inp	2698.00		NIST
Inp	2698.00		NIST
Tboil	839.68	K	Joback Calculated Property
Tc	1050.03	K	Joback Calculated Property
Tfus	567.35	K	Joback Calculated Property
Vc	1.157	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[943.12; 1039.93]	J/mol×K	[839.68; 1050.03]
Cp,gas	943.12	J/mol×K	839.68	Joback Calculated Property
Cp,gas	961.98	J/mol×K	874.74	Joback Calculated Property
Cp,gas	979.66	J/mol×K	909.80	Joback Calculated Property
Cp,gas	996.22	J/mol×K	944.86	Joback Calculated Property
Cp,gas	1011.74	J/mol×K	979.91	Joback Calculated Property
Cp,gas	1026.29	J/mol×K	1014.97	Joback Calculated Property
Cp,gas	1039.93	J/mol×K	1050.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, tridec-2-yn-1-yl ester.

Sources

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

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