Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, 8-chlorooctyl ester

InChI

InChI=1S/C18H25ClO2/c19-12-8-3-1-2-4-9-13-21-18(20)17-14-16(17)15-10-6-5-7-11-15/h5-7,10-11,16-17H,1-4,8-9,12-14H2

InChI Key

BIAZODDACMIMPI-UHFFFAOYSA-N

Formula

C18H25ClO2

SMILES

O=C(OCCCCCCCCCl)C1CC1c1ccccc1

Molecular Weight¹

308.84

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	44.19	kJ/mol	Joback Calculated Property
logPoct/wat	4.913		Crippen Calculated Property
McVol	249.540	ml/mol	McGowan Calculated Property
Inp	[2449.00; 2449.00]
Inp	2449.00		NIST
Inp	2449.00		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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[338.64; 832.22]	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			-5.33820e+01
Coefficient B			1.71130e+00
Coefficient C			-1.07720e-03
Coefficient D			2.51500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	338.64	J/mol×K	273.00	Calculated Property
Cp,gas	428.35	J/mol×K	353.78	Calculated Property
Cp,gas	507.49	J/mol×K	434.56	Calculated Property
Cp,gas	576.86	J/mol×K	515.33	Calculated Property
Cp,gas	637.24	J/mol×K	596.11	Calculated Property
Cp,gas	689.43	J/mol×K	676.89	Calculated Property
Cp,gas	734.23	J/mol×K	757.67	Calculated Property
Cp,gas	772.43	J/mol×K	838.44	Calculated Property
Cp,gas	804.83	J/mol×K	919.22	Calculated Property
Cp,gas	832.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020272; 0.0003553]	Pa×s	[404.99; 657.57]	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			-1.07351e+01
Coefficient B			1.83625e+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.			404.99
Temperature range, max.			657.57
η	0.0020272	Pa×s	404.99	Calculated Property
η	0.0015111	Pa×s	433.05	Calculated Property
η	0.0011674	Pa×s	461.12	Calculated Property
η	0.0009290	Pa×s	489.18	Calculated Property
η	0.0007578	Pa×s	517.25	Calculated Property
η	0.0006312	Pa×s	545.31	Calculated Property
η	0.0005353	Pa×s	573.38	Calculated Property
η	0.0004610	Pa×s	601.44	Calculated Property
η	0.0004024	Pa×s	629.51	Calculated Property
η	0.0003553	Pa×s	657.57	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, 8-chlorooctyl 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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