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

InChI

InChI=1S/C17H24O2/c1-4-5-6-8-11-14(2)19-17(18)15(3)16-12-9-7-10-13-16/h7-15H,4-6H2,1-3H3/b11-8-

InChI Key

WWWYXJRNGBBOCF-DHZHZOJOSA-N

Formula

C17H24O2

SMILES

CCCC/C=C/C(C)OC(=O)C(C)c1ccccc1

Molecular Weight¹

260.38

• 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).
• Δ_vapH° : Enthalpy of vaporization 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°	31.35	kJ/mol	Joback Calculated Property
ΔvapH°	78.56	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.468		Crippen Calculated Property
McVol	229.770	ml/mol	McGowan Calculated Property
Inp	[1743.00; 1743.00]
Inp	1743.00		NIST
Inp	1743.00		NIST
Tboil	547.04	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, 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	[310.56; 756.45]	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			-3.86070e+01
Coefficient B			1.51696e+00
Coefficient C			-9.27800e-04
Coefficient D			2.05900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	310.56	J/mol×K	273.00	Calculated Property
Cp,gas	391.05	J/mol×K	353.78	Calculated Property
Cp,gas	462.29	J/mol×K	434.56	Calculated Property
Cp,gas	524.92	J/mol×K	515.33	Calculated Property
Cp,gas	579.59	J/mol×K	596.11	Calculated Property
Cp,gas	626.97	J/mol×K	676.89	Calculated Property
Cp,gas	667.69	J/mol×K	757.67	Calculated Property
Cp,gas	702.41	J/mol×K	838.44	Calculated Property
Cp,gas	731.78	J/mol×K	919.22	Calculated Property
Cp,gas	756.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0041148; 0.0001010]	Pa×s	[315.02; 617.03]	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			-1.30679e+01
Coefficient B			2.38618e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			315.02
Temperature range, max.			617.03
η	0.0041148	Pa×s	315.02	Calculated Property
η	0.0019845	Pa×s	348.58	Calculated Property
η	0.0010879	Pa×s	382.13	Calculated Property
η	0.0006572	Pa×s	415.69	Calculated Property
η	0.0004280	Pa×s	449.24	Calculated Property
η	0.0002959	Pa×s	482.80	Calculated Property
η	0.0002146	Pa×s	516.36	Calculated Property
η	0.0001619	Pa×s	549.91	Calculated Property
η	0.0001261	Pa×s	583.47	Calculated Property
η	0.0001010	Pa×s	617.03	Calculated Property

Similar Compounds

Find more compounds similar to Hydratropic acid, 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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