Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, 3-methylphenyl ester

InChI

InChI=1S/C17H16O2/c1-12-6-5-9-14(10-12)19-17(18)16-11-15(16)13-7-3-2-4-8-13/h2-10,15-16H,11H2,1H3

InChI Key

LSHKQCOXYXCMSB-UHFFFAOYSA-N

Formula

C17H16O2

SMILES

Cc1cccc(OC(=O)C2CC2c2ccccc2)c1

Molecular Weight¹

252.31

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	31.05	kJ/mol	Joback Calculated Property
IE	8.22	eV	Relay (1.0) Calculated Property
log10WS	-4.39		Relay (1.0) Calculated Property
logPoct/wat	3.704		Crippen Calculated Property
McVol	199.450	ml/mol	McGowan Calculated Property
Inp	[2145.00; 2145.00]
Inp	2145.00		NIST
Inp	2145.00		NIST
Tboil	608.74	K	Relay (1.0) Calculated Property
Tfus	313.97	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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	[553.77; 638.52]	J/mol×K	[707.19; 950.09]
Cp,gas	553.77	J/mol×K	707.19	Joback Calculated Property
Cp,gas	571.26	J/mol×K	747.67	Joback Calculated Property
Cp,gas	587.28	J/mol×K	788.16	Joback Calculated Property
Cp,gas	601.92	J/mol×K	828.64	Joback Calculated Property
Cp,gas	615.29	J/mol×K	869.13	Joback Calculated Property
Cp,gas	627.45	J/mol×K	909.61	Joback Calculated Property
Cp,gas	638.52	J/mol×K	950.09	Joback Calculated Property
η	[0.0003228; 0.0016978]	Pa×s	[402.74; 707.19]
η	0.0016978	Pa×s	402.74	Joback Calculated Property
η	0.0011028	Pa×s	453.48	Joback Calculated Property
η	0.0007814	Pa×s	504.22	Joback Calculated Property
η	0.0005896	Pa×s	554.97	Joback Calculated Property
η	0.0004664	Pa×s	605.71	Joback Calculated Property
η	0.0003825	Pa×s	656.45	Joback Calculated Property
η	0.0003228	Pa×s	707.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, 3-methylphenyl 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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