Chemical Properties of bicyclo[4.4.0]dec-1-en, 2-isopropyl-

InChI

InChI=1S/C13H22/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12/h9-11,13H,3-8H2,1-2H3

InChI Key

MBEYPXVAFDUNPV-UHFFFAOYSA-N

Formula

C13H22

SMILES

CC(C)C1=CC2CCCCC2CC1

Molecular Weight¹

178.31

• 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_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.61	kJ/mol	Joback Calculated Property
logPoct/wat	4.169		Crippen Calculated Property
McVol	168.010	ml/mol	McGowan Calculated Property
Ip	[1715.00; 1715.00]
Ip	1715.00		NIST
Ip	1715.00		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	[210.57; 622.80]	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			-1.09500e+02
Coefficient B			1.39264e+00
Coefficient C			-8.61640e-04
Coefficient D			2.01300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	210.57	J/mol×K	273.00	Calculated Property
Cp,gas	284.26	J/mol×K	353.78	Calculated Property
Cp,gas	349.49	J/mol×K	434.56	Calculated Property
Cp,gas	406.90	J/mol×K	515.33	Calculated Property
Cp,gas	457.13	J/mol×K	596.11	Calculated Property
Cp,gas	500.81	J/mol×K	676.89	Calculated Property
Cp,gas	538.58	J/mol×K	757.67	Calculated Property
Cp,gas	571.08	J/mol×K	838.44	Calculated Property
Cp,gas	598.94	J/mol×K	919.22	Calculated Property
Cp,gas	622.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0041672; 0.0003444]	Pa×s	[256.35; 525.86]	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			-1.03454e+01
Coefficient B			1.24712e+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.			256.35
Temperature range, max.			525.86
η	0.0041672	Pa×s	256.35	Calculated Property
η	0.0025053	Pa×s	286.30	Calculated Property
η	0.0016585	Pa×s	316.24	Calculated Property
η	0.0011791	Pa×s	346.19	Calculated Property
η	0.0008851	Pa×s	376.13	Calculated Property
η	0.0006931	Pa×s	406.08	Calculated Property
η	0.0005613	Pa×s	436.02	Calculated Property
η	0.0004671	Pa×s	465.97	Calculated Property
η	0.0003974	Pa×s	495.91	Calculated Property
η	0.0003444	Pa×s	525.86	Calculated Property

Similar Compounds

Find more compounds similar to bicyclo[4.4.0]dec-1-en, 2-isopropyl-.

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

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