Chemical Properties of cis-1-carbomethoxy-5-methylcyclohex-3-ene

InChI

InChI=1S/C9H14O2/c1-7-4-3-5-8(6-7)9(10)11-2/h3-4,7-8H,5-6H2,1-2H3/t7-,8+/m0/s1

InChI Key

VZAIBLBJANAOTQ-SFYZADRCSA-N

Formula

C9H14O2

SMILES

COC(=O)[C@@H]1CC=C[C@H](C)C1

Molecular Weight¹

154.21

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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
ΔfH°gas	-384.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.98	kJ/mol	Joback Calculated Property
ΔvapH°	52.57	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.09		Relay (1.0) Calculated Property
logPoct/wat	1.762		Crippen Calculated Property
McVol	129.950	ml/mol	McGowan Calculated Property
I	[1497.00; 1530.40]
I	1497.00		NIST
I	1527.80		NIST
I	1530.40		NIST
I	1497.00		NIST
Tboil	458.41	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[292.21; 377.85]	J/mol×K	[495.65; 705.97]
Cp,gas	292.21	J/mol×K	495.65	Joback Calculated Property
Cp,gas	308.44	J/mol×K	530.70	Joback Calculated Property
Cp,gas	323.88	J/mol×K	565.76	Joback Calculated Property
Cp,gas	338.53	J/mol×K	600.81	Joback Calculated Property
Cp,gas	352.41	J/mol×K	635.86	Joback Calculated Property
Cp,gas	365.52	J/mol×K	670.91	Joback Calculated Property
Cp,gas	377.85	J/mol×K	705.97	Joback Calculated Property
η	[0.0002750; 0.0026183]	Pa×s	[267.25; 495.65]
η	0.0026183	Pa×s	267.25	Joback Calculated Property
η	0.0014230	Pa×s	305.32	Joback Calculated Property
η	0.0008854	Pa×s	343.38	Joback Calculated Property
η	0.0006056	Pa×s	381.45	Joback Calculated Property
η	0.0004438	Pa×s	419.52	Joback Calculated Property
η	0.0003424	Pa×s	457.58	Joback Calculated Property
η	0.0002750	Pa×s	495.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-1-carbomethoxy-5-methylcyclohex-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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