Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, pentadec-3-yl ester

InChI

InChI=1S/C25H40O2/c1-3-5-6-7-8-9-10-11-12-16-19-22(4-2)27-25(26)24-20-23(24)21-17-14-13-15-18-21/h13-15,17-18,22-24H,3-12,16,19-20H2,1-2H3

InChI Key

LLXGTHNNYVTIHV-UHFFFAOYSA-N

Formula

C25H40O2

SMILES

CCCCCCCCCCCCC(CC)OC(=O)C1CC1c1ccccc1

Molecular Weight¹

372.58

• 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°	54.60	kJ/mol	Joback Calculated Property
logPoct/wat	7.423		Crippen Calculated Property
McVol	335.930	ml/mol	McGowan Calculated Property
Inp	[2708.00; 2708.00]
Inp	2708.00		NIST
Inp	2708.00		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	[473.41; 1185.62]	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			-7.43180e+01
Coefficient B			2.37544e+00
Coefficient C			-1.44080e-03
Coefficient D			3.25300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	473.41	J/mol×K	273.00	Calculated Property
Cp,gas	600.13	J/mol×K	353.78	Calculated Property
Cp,gas	712.56	J/mol×K	434.56	Calculated Property
Cp,gas	811.71	J/mol×K	515.33	Calculated Property
Cp,gas	898.63	J/mol×K	596.11	Calculated Property
Cp,gas	974.33	J/mol×K	676.89	Calculated Property
Cp,gas	1039.86	J/mol×K	757.67	Calculated Property
Cp,gas	1096.23	J/mol×K	838.44	Calculated Property
Cp,gas	1144.47	J/mol×K	919.22	Calculated Property
Cp,gas	1185.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016617; 0.0001860]	Pa×s	[438.96; 740.28]	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			-1.17805e+01
Coefficient B			2.36187e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			438.96
Temperature range, max.			740.28
η	0.0016617	Pa×s	438.96	Calculated Property
η	0.0011349	Pa×s	472.44	Calculated Property
η	0.0008152	Pa×s	505.92	Calculated Property
η	0.0006101	Pa×s	539.40	Calculated Property
η	0.0004724	Pa×s	572.88	Calculated Property
η	0.0003762	Pa×s	606.36	Calculated Property
η	0.0003068	Pa×s	639.84	Calculated Property
η	0.0002554	Pa×s	673.32	Calculated Property
η	0.0002163	Pa×s	706.80	Calculated Property
η	0.0001860	Pa×s	740.28	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, pentadec-3-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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