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

InChI

InChI=1S/C20H30O2/c1-3-4-5-6-7-9-12-16(2)22-20(21)19-15-18(19)17-13-10-8-11-14-17/h8,10-11,13-14,16,18-19H,3-7,9,12,15H2,1-2H3

InChI Key

VQHCJBPFXRYPKU-UHFFFAOYSA-N

Formula

C20H30O2

SMILES

CCCCCCCCC(C)OC(=O)C1CC1c1ccccc1

Molecular Weight¹

302.45

• 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°	41.65	kJ/mol	Joback Calculated Property
logPoct/wat	5.472		Crippen Calculated Property
McVol	265.480	ml/mol	McGowan Calculated Property
Inp	[2207.00; 2207.00]
Inp	2207.00		NIST
Inp	2207.00		NIST
Tboil	600.18	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	[367.35; 927.67]	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			-6.97730e+01
Coefficient B			1.90044e+00
Coefficient C			-1.16880e-03
Coefficient D			2.65800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	367.35	J/mol×K	273.00	Calculated Property
Cp,gas	468.04	J/mol×K	353.78	Calculated Property
Cp,gas	557.17	J/mol×K	434.56	Calculated Property
Cp,gas	635.57	J/mol×K	515.33	Calculated Property
Cp,gas	704.07	J/mol×K	596.11	Calculated Property
Cp,gas	763.53	J/mol×K	676.89	Calculated Property
Cp,gas	814.78	J/mol×K	757.67	Calculated Property
Cp,gas	858.65	J/mol×K	838.44	Calculated Property
Cp,gas	896.00	J/mol×K	919.22	Calculated Property
Cp,gas	927.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023543; 0.0002948]	Pa×s	[382.61; 660.13]	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			-1.09941e+01
Coefficient B			1.89107e+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.			382.61
Temperature range, max.			660.13
η	0.0023543	Pa×s	382.61	Calculated Property
η	0.0016284	Pa×s	413.45	Calculated Property
η	0.0011855	Pa×s	444.28	Calculated Property
η	0.0008994	Pa×s	475.12	Calculated Property
η	0.0007056	Pa×s	505.95	Calculated Property
η	0.0005693	Pa×s	536.79	Calculated Property
η	0.0004701	Pa×s	567.62	Calculated Property
η	0.0003960	Pa×s	598.46	Calculated Property
η	0.0003392	Pa×s	629.29	Calculated Property
η	0.0002948	Pa×s	660.13	Calculated Property

Similar Compounds

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