Chemical Properties of Cyclopropanecarboxylic acid, trans-2-phenyl-, dodec-2-en-1-yl ester

InChI

InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-14-17-24-22(23)21-18-20(21)19-15-12-11-13-16-19/h10-16,20-21H,2-9,17-18H2,1H3/b14-10+

InChI Key

HTMWCOPTAPSNJJ-GXDHUFHOSA-N

Formula

C22H32O2

SMILES

CCCCCCCCCC=CCOC(=O)C1CC1c1ccccc1

Molecular Weight¹

328.49

• 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°	50.55	kJ/mol	Joback Calculated Property
logPoct/wat	6.030		Crippen Calculated Property
McVol	289.360	ml/mol	McGowan Calculated Property
Inp	[2554.00; 2554.00]
Inp	2554.00		NIST
Inp	2554.00		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	[396.08; 999.73]	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			-8.40910e+01
Coefficient B			2.10452e+00
Coefficient C			-1.35820e-03
Coefficient D			3.37500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	396.08	J/mol×K	273.00	Calculated Property
Cp,gas	505.39	J/mol×K	353.78	Calculated Property
Cp,gas	601.65	J/mol×K	434.56	Calculated Property
Cp,gas	685.93	J/mol×K	515.33	Calculated Property
Cp,gas	759.29	J/mol×K	596.11	Calculated Property
Cp,gas	822.81	J/mol×K	676.89	Calculated Property
Cp,gas	877.54	J/mol×K	757.67	Calculated Property
Cp,gas	924.56	J/mol×K	838.44	Calculated Property
Cp,gas	964.93	J/mol×K	919.22	Calculated Property
Cp,gas	999.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016614; 0.0002335]	Pa×s	[415.07; 695.99]	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			-1.12615e+01
Coefficient B			2.01781e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			415.07
Temperature range, max.			695.99
η	0.0016614	Pa×s	415.07	Calculated Property
η	0.0011825	Pa×s	446.28	Calculated Property
η	0.0008799	Pa×s	477.50	Calculated Property
η	0.0006790	Pa×s	508.71	Calculated Property
η	0.0005398	Pa×s	539.92	Calculated Property
η	0.0004401	Pa×s	571.14	Calculated Property
η	0.0003665	Pa×s	602.35	Calculated Property
η	0.0003107	Pa×s	633.57	Calculated Property
η	0.0002676	Pa×s	664.78	Calculated Property
η	0.0002335	Pa×s	695.99	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, trans-2-phenyl-, dodec-2-en-1-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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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