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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	54.48	kJ/mol	Joback Calculated Property
logPoct/wat	5.868		Crippen Calculated Property
McVol	299.150	ml/mol	McGowan Calculated Property
Inp	[2698.00; 2698.00]
Inp	2698.00		NIST
Inp	2698.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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