Chemical Properties of Butyric acid, 2-phenyl-, oct-3-en-2-yl ester

InChI

InChI=1S/C18H26O2/c1-4-6-7-9-12-15(3)20-18(19)17(5-2)16-13-10-8-11-14-16/h8-15,17H,4-7H2,1-3H3/b12-9+

InChI Key

PRQHFUJYDIPSFX-FMIVXFBMSA-N

Formula

C18H26O2

SMILES

CCCCC=CC(C)OC(=O)C(CC)c1ccccc1

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).
• 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°	33.94	kJ/mol	Joback Calculated Property
logPoct/wat	4.858		Crippen Calculated Property
McVol	243.860	ml/mol	McGowan Calculated Property
Inp	[1806.00; 1806.00]
Inp	1806.00		NIST
Inp	1806.00		NIST
Tboil	560.66	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	[331.78; 808.04]	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			-3.95160e+01
Coefficient B			1.61196e+00
Coefficient C			-9.82200e-04
Coefficient D			2.17800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	331.78	J/mol×K	273.00	Calculated Property
Cp,gas	417.47	J/mol×K	353.78	Calculated Property
Cp,gas	493.37	J/mol×K	434.56	Calculated Property
Cp,gas	560.15	J/mol×K	515.33	Calculated Property
Cp,gas	618.50	J/mol×K	596.11	Calculated Property
Cp,gas	669.13	J/mol×K	676.89	Calculated Property
Cp,gas	712.70	J/mol×K	757.67	Calculated Property
Cp,gas	749.92	J/mol×K	838.44	Calculated Property
Cp,gas	781.47	J/mol×K	919.22	Calculated Property
Cp,gas	808.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0036510; 0.0000928]	Pa×s	[326.29; 631.30]	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			-1.32144e+01
Coefficient B			2.48034e+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.			326.29
Temperature range, max.			631.30
η	0.0036510	Pa×s	326.29	Calculated Property
η	0.0017856	Pa×s	360.18	Calculated Property
η	0.0009876	Pa×s	394.07	Calculated Property
η	0.0006000	Pa×s	427.96	Calculated Property
η	0.0003921	Pa×s	461.85	Calculated Property
η	0.0002716	Pa×s	495.74	Calculated Property
η	0.0001972	Pa×s	529.63	Calculated Property
η	0.0001488	Pa×s	563.52	Calculated Property
η	0.0001159	Pa×s	597.41	Calculated Property
η	0.0000928	Pa×s	631.30	Calculated Property

Similar Compounds

Find more compounds similar to Butyric acid, 2-phenyl-, oct-3-en-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

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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