Chemical Properties of cis-1-carbomethoxy-1,2-dimethylcyclohexane

InChI

InChI=1S/C10H18O2/c1-8-6-4-5-7-10(8,2)9(11)12-3/h8H,4-7H2,1-3H3/t8-,10+/m0/s1

InChI Key

SJKLSWIBBVUKNA-WCBMZHEXSA-N

Formula

C10H18O2

SMILES

COC(=O)C1(C)CCCCC1C

Molecular Weight¹

170.25

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.3668		Relay (... Calculated Property
ΔfG°	-189.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-499.79	kJ/mol	Relay (... Calculated Property
ΔfusH°	11.05	kJ/mol	Joback Calculated Property
ΔvapH°	57.89	kJ/mol	Relay (... Calculated Property
IE	9.64	eV	Relay (... Calculated Property
log10WS	-2.73		Relay (... Calculated Property
logPoct/wat	2.376		Crippen Calculated Property
McVol	148.340	ml/mol	McGowan Calculated Property
Pc	2726.86	kPa	Joback Calculated Property
I	[1434.10; 1470.20]
I	1434.10		NIST
I	1448.50		NIST
I	1470.20		NIST
Tboil	459.59	K	Relay (... Calculated Property
Tc	683.22	K	Relay (... Calculated Property
Tfus	273.90	K	Relay (... Calculated Property
Vc	0.503	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[355.82; 451.12]	J/mol×K	[519.61; 733.33]
Cp,gas	355.82	J/mol×K	519.61	Joback Calculated Property
Cp,gas	374.01	J/mol×K	555.23	Joback Calculated Property
Cp,gas	391.16	J/mol×K	590.85	Joback Calculated Property
Cp,gas	407.36	J/mol×K	626.47	Joback Calculated Property
Cp,gas	422.69	J/mol×K	662.09	Joback Calculated Property
Cp,gas	437.25	J/mol×K	697.71	Joback Calculated Property
Cp,gas	451.12	J/mol×K	733.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-1-carbomethoxy-1,2-dimethylcyclohexane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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