Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, 2-ethylhexyl ester

InChI

InChI=1S/C18H26O2/c1-3-5-9-14(4-2)13-20-18(19)17-12-16(17)15-10-7-6-8-11-15/h6-8,10-11,14,16-17H,3-5,9,12-13H2,1-2H3

InChI Key

KKKUGSXIQOSMKI-UHFFFAOYSA-N

Formula

C18H26O2

SMILES

CCCCC(CC)COC(=O)C1CC1c1ccccc1

Molecular Weight¹

274.40

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	36.47	kJ/mol	Joback Calculated Property
log10WS	-5.07		Relay (1.0) Calculated Property
logPoct/wat	4.550		Crippen Calculated Property
McVol	237.300	ml/mol	McGowan Calculated Property
Pc	1593.62	kPa	Joback Calculated Property
Inp	[2042.00; 2042.00]
Inp	2042.00		NIST
Inp	2042.00		NIST
Tboil	595.14	K	Relay (1.0) Calculated Property
Tfus	249.00	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[324.92; 824.49]	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			-6.79550e+01
Coefficient B			1.71044e+00
Coefficient C			-1.06000e-03
Coefficient D			2.42000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	324.92	J/mol×K	273.00	Calculated Property
Cp,gas	415.21	J/mol×K	353.78	Calculated Property
Cp,gas	495.02	J/mol×K	434.56	Calculated Property
Cp,gas	565.11	J/mol×K	515.33	Calculated Property
Cp,gas	626.25	J/mol×K	596.11	Calculated Property
Cp,gas	679.21	J/mol×K	676.89	Calculated Property
Cp,gas	724.74	J/mol×K	757.67	Calculated Property
Cp,gas	763.62	J/mol×K	838.44	Calculated Property
Cp,gas	796.62	J/mol×K	919.22	Calculated Property
Cp,gas	824.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025684; 0.0003375]	Pa×s	[360.07; 630.80]	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			-1.06934e+01
Coefficient B			1.70275e+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.			360.07
Temperature range, max.			630.80
η	0.0025684	Pa×s	360.07	Calculated Property
η	0.0017837	Pa×s	390.15	Calculated Property
η	0.0013051	Pa×s	420.23	Calculated Property
η	0.0009956	Pa×s	450.31	Calculated Property
η	0.0007857	Pa×s	480.40	Calculated Property
η	0.0006376	Pa×s	510.48	Calculated Property
η	0.0005296	Pa×s	540.56	Calculated Property
η	0.0004486	Pa×s	570.64	Calculated Property
η	0.0003863	Pa×s	600.72	Calculated Property
η	0.0003375	Pa×s	630.80	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, 2-ethylhexyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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