Chemical Properties of trans-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-/m1/s1

InChI Key

VZAIBLBJANAOTQ-YUMQZZPRSA-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	-394.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.56	kJ/mol	Joback Calculated Property
ΔvapH°	53.83	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.03		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	459.88	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[170.42; 452.19]	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			-3.17700e+01
Coefficient B			8.43640e-01
Coefficient C			-3.84080e-04
Coefficient D			2.44000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	170.42	J/mol×K	273.00	Calculated Property
Cp,gas	219.70	J/mol×K	353.78	Calculated Property
Cp,gas	264.31	J/mol×K	434.56	Calculated Property
Cp,gas	304.33	J/mol×K	515.33	Calculated Property
Cp,gas	339.82	J/mol×K	596.11	Calculated Property
Cp,gas	370.87	J/mol×K	676.89	Calculated Property
Cp,gas	397.56	J/mol×K	757.67	Calculated Property
Cp,gas	419.95	J/mol×K	838.44	Calculated Property
Cp,gas	438.14	J/mol×K	919.22	Calculated Property
Cp,gas	452.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0042093; 0.0002497]	Pa×s	[237.42; 479.49]	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			-1.10657e+01
Coefficient B			1.32842e+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.			237.42
Temperature range, max.			479.49
η	0.0042093	Pa×s	237.42	Calculated Property
η	0.0023820	Pa×s	264.32	Calculated Property
η	0.0014974	Pa×s	291.21	Calculated Property
η	0.0010182	Pa×s	318.11	Calculated Property
η	0.0007353	Pa×s	345.01	Calculated Property
η	0.0005566	Pa×s	371.90	Calculated Property
η	0.0004374	Pa×s	398.80	Calculated Property
η	0.0003544	Pa×s	425.70	Calculated Property
η	0.0002944	Pa×s	452.59	Calculated Property
η	0.0002497	Pa×s	479.49	Calculated Property

Similar Compounds

Find more compounds similar to trans-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

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