Chemical Properties of cis-1-carbomethoxy-5-tert-butylcyclohex-3-ene

InChI

InChI=1S/C12H20O2/c1-12(2,3)10-7-5-6-9(8-10)11(13)14-4/h5,7,9-10H,6,8H2,1-4H3/t9-,10+/m0/s1

InChI Key

MWUJYSQXIKGVTI-VHSXEESVSA-N

Formula

C12H20O2

SMILES

COC(=O)C1CC=CC(C(C)(C)C)C1

Molecular Weight¹

196.29

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-134.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-452.80	kJ/mol	Joback Calculated Property
ΔfusH°	16.34	kJ/mol	Joback Calculated Property
ΔvapH°	50.58	kJ/mol	Joback Calculated Property
log10WS	-2.73		Crippen Calculated Property
logPoct/wat	2.788		Crippen Calculated Property
McVol	172.220	ml/mol	McGowan Calculated Property
Pc	2274.07	kPa	Joback Calculated Property
I	[1728.50; 1740.80]
I	1728.50		NIST
I	1728.50		NIST
I	1740.80		NIST
Tboil	561.06	K	Joback Calculated Property
Tc	774.40	K	Joback Calculated Property
Tfus	303.48	K	Joback Calculated Property
Vc	0.638	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[438.71; 539.75]	J/mol×K	[561.06; 774.40]
Cp,gas	438.71	J/mol×K	561.06	Joback Calculated Property
Cp,gas	458.34	J/mol×K	596.62	Joback Calculated Property
Cp,gas	476.82	J/mol×K	632.17	Joback Calculated Property
Cp,gas	494.16	J/mol×K	667.73	Joback Calculated Property
Cp,gas	510.41	J/mol×K	703.28	Joback Calculated Property
Cp,gas	525.59	J/mol×K	738.84	Joback Calculated Property
Cp,gas	539.75	J/mol×K	774.40	Joback Calculated Property
η	[0.0002110; 0.0033615]	Pa×s	[303.48; 561.06]
η	0.0033615	Pa×s	303.48	Joback Calculated Property
η	0.0015922	Pa×s	346.41	Joback Calculated Property
η	0.0008892	Pa×s	389.34	Joback Calculated Property
η	0.0005576	Pa×s	432.27	Joback Calculated Property
η	0.0003804	Pa×s	475.20	Joback Calculated Property
η	0.0002765	Pa×s	518.13	Joback Calculated Property
η	0.0002110	Pa×s	561.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-1-carbomethoxy-5-tert-butylcyclohex-3-ene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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