Chemical Properties of cis-1-carbomethoxy-1,3-dimethylcyclohexane

InChI

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

InChI Key

NOUTXABQGMIWME-WCBMZHEXSA-N

Formula

C10H18O2

SMILES

COC(=O)C1(C)CCCC(C)C1

Molecular Weight¹

170.25

• 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°	-189.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-445.31	kJ/mol	Joback Calculated Property
ΔfusH°	11.05	kJ/mol	Joback Calculated Property
ΔvapH°	45.98	kJ/mol	Joback Calculated Property
log10WS	-2.28		Crippen 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	[1462.00; 1500.20]
I	1462.00		NIST
I	1489.60		NIST
I	1500.20		NIST
Tboil	519.61	K	Joback Calculated Property
Tc	733.33	K	Joback Calculated Property
Tfus	301.66	K	Joback Calculated Property
Vc	0.549	m3/kmol	Joback 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-1,3-dimethylcyclohexane.

Sources

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

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