Chemical Properties of Cyclohexane,1-(1,1-dimethylethyl)-3-methoxy-4-methylene-trans- (CAS 68211-40-5)

InChI

InChI=1S/C12H22O/c1-9-6-7-10(12(2,3)4)8-11(9)13-5/h10-11H,1,6-8H2,2-5H3/t10-,11+/m1/s1

InChI Key

DUVGSEXMTVWEHI-MNOVXSKESA-N

Formula

C12H22O

SMILES

C=C1CCC(C(C)(C)C)CC1OC

Molecular Weight¹

182.30

CAS

68211-40-5

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	12.36	kJ/mol	Joback Calculated Property
IE	[9.30; 9.30]	eV
IE	9.30 ± 0.02	eV	NIST
IE	9.30 ± 0.05	eV	NIST
logPoct/wat	3.404		Crippen Calculated Property
McVol	170.650	ml/mol	McGowan Calculated Property

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, 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	[234.64; 618.21]	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			-4.43700e+01
Coefficient B			1.18458e+00
Coefficient C			-6.23000e-04
Coefficient D			1.01000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	234.64	J/mol×K	273.00	Calculated Property
Cp,gas	301.21	J/mol×K	353.78	Calculated Property
Cp,gas	361.04	J/mol×K	434.56	Calculated Property
Cp,gas	414.46	J/mol×K	515.33	Calculated Property
Cp,gas	461.78	J/mol×K	596.11	Calculated Property
Cp,gas	503.34	J/mol×K	676.89	Calculated Property
Cp,gas	539.44	J/mol×K	757.67	Calculated Property
Cp,gas	570.40	J/mol×K	838.44	Calculated Property
Cp,gas	596.55	J/mol×K	919.22	Calculated Property
Cp,gas	618.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032171; 0.0002236]	Pa×s	[266.47; 498.32]	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			-1.14703e+01
Coefficient B			1.52715e+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.			266.47
Temperature range, max.			498.32
η	0.0032171	Pa×s	266.47	Calculated Property
η	0.0019411	Pa×s	292.23	Calculated Property
η	0.0012711	Pa×s	317.99	Calculated Property
η	0.0008869	Pa×s	343.75	Calculated Property
η	0.0006507	Pa×s	369.52	Calculated Property
η	0.0004970	Pa×s	395.28	Calculated Property
η	0.0003924	Pa×s	421.04	Calculated Property
η	0.0003184	Pa×s	446.80	Calculated Property
η	0.0002642	Pa×s	472.56	Calculated Property
η	0.0002236	Pa×s	498.32	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane,1-(1,1-dimethylethyl)-3-methoxy-4-methylene-trans-.

Sources

• 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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