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

InChI

InChI=1S/C13H22O2/c1-3-4-5-6-8-11(2)15-13(14)12-9-7-10-12/h6,8,11-12H,3-5,7,9-10H2,1-2H3/b8-6+

InChI Key

XJSRLKXXHRKVIC-SOFGYWHQSA-N

Formula

C13H22O2

SMILES

CCCC/C=C/C(C)OC(=O)C1CCC1

Molecular Weight¹

210.32

• 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°	26.51	kJ/mol	Joback Calculated Property
logPoct/wat	3.465		Crippen Calculated Property
McVol	186.310	ml/mol	McGowan Calculated Property
Inp	[1423.00; 1423.00]
Inp	1423.00		NIST
Inp	1423.00		NIST
Tboil	498.78	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	[254.95; 649.59]	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			-5.47470e+01
Coefficient B			1.35124e+00
Coefficient C			-8.49600e-04
Coefficient D			2.02700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	254.95	J/mol×K	273.00	Calculated Property
Cp,gas	325.93	J/mol×K	353.78	Calculated Property
Cp,gas	388.64	J/mol×K	434.56	Calculated Property
Cp,gas	443.71	J/mol×K	515.33	Calculated Property
Cp,gas	491.78	J/mol×K	596.11	Calculated Property
Cp,gas	533.49	J/mol×K	676.89	Calculated Property
Cp,gas	569.49	J/mol×K	757.67	Calculated Property
Cp,gas	600.41	J/mol×K	838.44	Calculated Property
Cp,gas	626.90	J/mol×K	919.22	Calculated Property
Cp,gas	649.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0049865; 0.0002656]	Pa×s	[272.94; 534.46]	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			-1.12944e+01
Coefficient B			1.63583e+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.			272.94
Temperature range, max.			534.46
η	0.0049865	Pa×s	272.94	Calculated Property
η	0.0028012	Pa×s	302.00	Calculated Property
η	0.0017413	Pa×s	331.06	Calculated Property
η	0.0011687	Pa×s	360.11	Calculated Property
η	0.0008325	Pa×s	389.17	Calculated Property
η	0.0006217	Pa×s	418.23	Calculated Property
η	0.0004822	Pa×s	447.29	Calculated Property
η	0.0003858	Pa×s	476.35	Calculated Property
η	0.0003166	Pa×s	505.41	Calculated Property
η	0.0002656	Pa×s	534.46	Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutanecarboxylic 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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