Chemical Properties of trans-carbomethoxy-1,2-methylcyclohex-3-ene

InChI

InChI=1S/C10H16O2/c1-8-6-4-5-7-10(8,2)9(11)12-3/h4,6,8H,5,7H2,1-3H3/t8-,10-/m1/s1

InChI Key

NLOSWJVOKLFODS-PSASIEDQSA-N

Formula

C10H16O2

SMILES

COC(=O)C1(C)CCC=CC1C

Molecular Weight¹

168.23

• 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°	-159.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-387.53	kJ/mol	Joback Calculated Property
ΔfusH°	12.27	kJ/mol	Joback Calculated Property
ΔvapH°	46.27	kJ/mol	Joback Calculated Property
log10WS	-2.14		Crippen Calculated Property
logPoct/wat	2.152		Crippen Calculated Property
McVol	144.040	ml/mol	McGowan Calculated Property
Pc	2832.35	kPa	Joback Calculated Property
I	[1509.80; 1549.20]
I	1509.80		NIST
I	1522.70		NIST
I	1549.20		NIST
I	1509.80		NIST
Tboil	518.77	K	Joback Calculated Property
Tc	734.61	K	Joback Calculated Property
Tfus	302.42	K	Joback Calculated Property
Vc	0.535	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[338.11; 426.77]	J/mol×K	[518.77; 734.61]
Cp,gas	338.11	J/mol×K	518.77	Joback Calculated Property
Cp,gas	355.11	J/mol×K	554.74	Joback Calculated Property
Cp,gas	371.10	J/mol×K	590.72	Joback Calculated Property
Cp,gas	386.17	J/mol×K	626.69	Joback Calculated Property
Cp,gas	400.41	J/mol×K	662.66	Joback Calculated Property
Cp,gas	413.92	J/mol×K	698.64	Joback Calculated Property
Cp,gas	426.77	J/mol×K	734.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-carbomethoxy-1,2-methylcyclohex-3-ene.

Sources

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

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