Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, isobutyl ester

InChI

InChI=1S/C14H18O2/c1-10(2)9-16-14(15)13-8-12(13)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3

InChI Key

DRBACORAXKIPLB-UHFFFAOYSA-N

Formula

C14H18O2

SMILES

CC(C)COC(=O)C1CC1c1ccccc1

Molecular Weight¹

218.30

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	26.11	kJ/mol	Joback Calculated Property
log10WS	-3.74		Relay (1.0) Calculated Property
logPoct/wat	2.989		Crippen Calculated Property
McVol	180.940	ml/mol	McGowan Calculated Property
Inp	[1667.00; 1667.00]
Inp	1667.00		NIST
Inp	1667.00		NIST
Tboil	545.25	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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	[476.07; 568.09]	J/mol×K	[606.45; 822.05]
Cp,gas	476.07	J/mol×K	606.45	Joback Calculated Property
Cp,gas	494.24	J/mol×K	642.38	Joback Calculated Property
Cp,gas	511.21	J/mol×K	678.32	Joback Calculated Property
Cp,gas	527.03	J/mol×K	714.25	Joback Calculated Property
Cp,gas	541.74	J/mol×K	750.18	Joback Calculated Property
Cp,gas	555.42	J/mol×K	786.11	Joback Calculated Property
Cp,gas	568.09	J/mol×K	822.05	Joback Calculated Property
η	[0.0003564; 0.0026956]	Pa×s	[314.99; 606.45]
η	0.0026956	Pa×s	314.99	Joback Calculated Property
η	0.0015359	Pa×s	363.57	Joback Calculated Property
η	0.0009992	Pa×s	412.14	Joback Calculated Property
η	0.0007117	Pa×s	460.72	Joback Calculated Property
η	0.0005409	Pa×s	509.30	Joback Calculated Property
η	0.0004311	Pa×s	557.87	Joback Calculated Property
η	0.0003564	Pa×s	606.45	Joback Calculated Property

Similar Compounds

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