Chemical Properties of 1-carbomethoxy-1-methyl-4-tert-butylcyclohex-3-ene

InChI

InChI=1S/C13H22O2/c1-12(2,3)10-6-8-13(4,9-7-10)11(14)15-5/h6H,7-9H2,1-5H3

InChI Key

RIFPBZLRCXOBTR-UHFFFAOYSA-N

Formula

C13H22O2

SMILES

COC(=O)C1(C)CC=C(C(C)(C)C)CC1

Molecular Weight¹

210.31

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	-133.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-449.33	kJ/mol	Joback Calculated Property
ΔfusH°	11.17	kJ/mol	Joback Calculated Property
ΔvapH°	52.62	kJ/mol	Joback Calculated Property
log10WS	-3.39		Crippen Calculated Property
logPoct/wat	3.322		Crippen Calculated Property
McVol	186.310	ml/mol	McGowan Calculated Property
Pc	2204.15	kPa	Joback Calculated Property
I	[1686.30; 1686.30]
I	1686.30		NIST
I	1686.30		NIST
Tboil	593.83	K	Joback Calculated Property
Tc	812.92	K	Joback Calculated Property
Tfus	355.41	K	Joback Calculated Property
Vc	0.694	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[487.17; 587.18]	J/mol×K	[593.83; 812.92]
Cp,gas	487.17	J/mol×K	593.83	Joback Calculated Property
Cp,gas	506.28	J/mol×K	630.35	Joback Calculated Property
Cp,gas	524.24	J/mol×K	666.86	Joback Calculated Property
Cp,gas	541.18	J/mol×K	703.38	Joback Calculated Property
Cp,gas	557.23	J/mol×K	739.89	Joback Calculated Property
Cp,gas	572.52	J/mol×K	776.41	Joback Calculated Property
Cp,gas	587.18	J/mol×K	812.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-carbomethoxy-1-methyl-4-tert-butylcyclohex-3-ene.

Sources

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

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