Chemical Properties of trans-carbomethoxy-2-tert-butylcyclohex-3-ene

InChI

InChI=1S/C12H20O2/c1-12(2,3)10-8-6-5-7-9(10)11(13)14-4/h6,8-10H,5,7H2,1-4H3/t9-,10-/m1/s1

InChI Key

BVSFSMHERIMWGM-NXEZZACHSA-N

Formula

C12H20O2

SMILES

COC(=O)C1CCC=CC1C(C)(C)C

Molecular Weight¹

196.29

• 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 : 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°	17.92	kJ/mol	Joback Calculated Property
logPoct/wat	2.788		Crippen Calculated Property
McVol	172.220	ml/mol	McGowan Calculated Property
I	[1670.80; 1682.40]
I	1670.80		NIST
I	1682.40		NIST
Tboil	489.80	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[431.44; 534.69]	J/mol×K	[543.19; 754.02]
Cp,gas	431.44	J/mol×K	543.19	Joback Calculated Property
Cp,gas	451.56	J/mol×K	578.33	Joback Calculated Property
Cp,gas	470.47	J/mol×K	613.47	Joback Calculated Property
Cp,gas	488.20	J/mol×K	648.60	Joback Calculated Property
Cp,gas	504.79	J/mol×K	683.74	Joback Calculated Property
Cp,gas	520.28	J/mol×K	718.88	Joback Calculated Property
Cp,gas	534.69	J/mol×K	754.02	Joback Calculated Property
η	[0.0001941; 0.0055738]	Pa×s	[273.65; 543.19]
η	0.0055738	Pa×s	273.65	Joback Calculated Property
η	0.0021469	Pa×s	318.57	Joback Calculated Property
η	0.0010468	Pa×s	363.50	Joback Calculated Property
η	0.0005978	Pa×s	408.42	Joback Calculated Property
η	0.0003815	Pa×s	453.34	Joback Calculated Property
η	0.0002640	Pa×s	498.27	Joback Calculated Property
η	0.0001941	Pa×s	543.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-carbomethoxy-2-tert-butylcyclohex-3-ene.

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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