Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, hept-2-yl ester

InChI

InChI=1S/C17H24O2/c1-3-4-6-9-13(2)19-17(18)16-12-15(16)14-10-7-5-8-11-14/h5,7-8,10-11,13,15-16H,3-4,6,9,12H2,1-2H3

InChI Key

SINSXGWSOOGAOP-UHFFFAOYSA-N

Formula

C17H24O2

SMILES

CCCCCC(C)OC(=O)C1CC1c1ccccc1

Molecular Weight¹

260.37

• 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).
• 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°	33.88	kJ/mol	Joback Calculated Property
logPoct/wat	4.302		Crippen Calculated Property
McVol	223.210	ml/mol	McGowan Calculated Property
Inp	[1903.00; 1903.00]
Inp	1903.00		NIST
Inp	1903.00		NIST
Tboil	569.07	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, 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	[303.70; 772.89]	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			-6.70460e+01
Coefficient B			1.61544e+00
Coefficient C			-1.00560e-03
Coefficient D			2.30100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	303.70	J/mol×K	273.00	Calculated Property
Cp,gas	388.79	J/mol×K	353.78	Calculated Property
Cp,gas	463.94	J/mol×K	434.56	Calculated Property
Cp,gas	529.88	J/mol×K	515.33	Calculated Property
Cp,gas	587.34	J/mol×K	596.11	Calculated Property
Cp,gas	637.05	J/mol×K	676.89	Calculated Property
Cp,gas	679.73	J/mol×K	757.67	Calculated Property
Cp,gas	716.11	J/mol×K	838.44	Calculated Property
Cp,gas	746.92	J/mol×K	919.22	Calculated Property
Cp,gas	772.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026450; 0.0003569]	Pa×s	[348.80; 616.60]	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			-1.05469e+01
Coefficient B			1.60859e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			348.80
Temperature range, max.			616.60
η	0.0026450	Pa×s	348.80	Calculated Property
η	0.0018408	Pa×s	378.56	Calculated Property
η	0.0013506	Pa×s	408.31	Calculated Property
η	0.0010335	Pa×s	438.07	Calculated Property
η	0.0008182	Pa×s	467.82	Calculated Property
η	0.0006661	Pa×s	497.58	Calculated Property
η	0.0005551	Pa×s	527.33	Calculated Property
η	0.0004716	Pa×s	557.09	Calculated Property
η	0.0004074	Pa×s	586.84	Calculated Property
η	0.0003569	Pa×s	616.60	Calculated Property

Similar Compounds

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

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