Chemical Properties of trans-2-Phenyl-1-cyclopropanecarboxylic acid (CAS 939-90-2)

InChI

InChI=1S/C10H10O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,11,12)

InChI Key

AHDDRJBFJBDEPW-UHFFFAOYSA-N

Formula

C10H10O2

SMILES

O=C(O)C1CC1c1ccccc1

Molecular Weight¹

162.19

CAS

939-90-2

Other Names

• 2-Phenylcyclopropanecarboxylic acid, trans
• Cyclopropanecarboxylic acid, 2-phenyl-, trans-
• trans-2-Phenylcyclopropanecarboxylic acid

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[152.81; 413.89]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-7.98100e+01
Coefficient B			1.05010e+00
Coefficient C			-7.88800e-04
Coefficient D			2.32400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	152.81	J/mol×K	273.00	Calculated Property
Cp,gas	203.26	J/mol×K	353.78	Calculated Property
Cp,gas	246.63	J/mol×K	434.56	Calculated Property
Cp,gas	283.67	J/mol×K	515.33	Calculated Property
Cp,gas	315.10	J/mol×K	596.11	Calculated Property
Cp,gas	341.66	J/mol×K	676.89	Calculated Property
Cp,gas	364.08	J/mol×K	757.67	Calculated Property
Cp,gas	383.10	J/mol×K	838.44	Calculated Property
Cp,gas	399.46	J/mol×K	919.22	Calculated Property
Cp,gas	413.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016892; 0.0006193]	Pa×s	[403.18; 587.23]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-9.58524e+00
Coefficient B			1.29087e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			403.18
Temperature range, max.			587.23
η	0.0016892	Pa×s	403.18	Calculated Property
η	0.0014473	Pa×s	423.63	Calculated Property
η	0.0012578	Pa×s	444.08	Calculated Property
η	0.0011067	Pa×s	464.53	Calculated Property
η	0.0009843	Pa×s	484.98	Calculated Property
η	0.0008838	Pa×s	505.43	Calculated Property
η	0.0008003	Pa×s	525.88	Calculated Property
η	0.0007300	Pa×s	546.33	Calculated Property
η	0.0006704	Pa×s	566.78	Calculated Property
η	0.0006193	Pa×s	587.23	Calculated Property

Similar Compounds

Find more compounds similar to trans-2-Phenyl-1-cyclopropanecarboxylic acid.

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

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