Chemical Properties of (Z)-3,3-dimethylcyclohexane-«DELTA»1,«beta»-ethyl acetate

InChI

InChI=1S/C12H20O2/c1-12(2)8-4-6-10(9-12)5-3-7-11(13)14/h5H,3-4,6-9H2,1-2H3,(H,13,14)/b10-5-

InChI Key

MOVMOZAHZNEFET-YHYXMXQVSA-N

Formula

C12H20O2

SMILES

CC1(C)CCCC(=CCCC(=O)O)C1

Molecular Weight¹

196.29

• 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_np : Non-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°	-151.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-410.23	kJ/mol	Joback Calculated Property
ΔfusH°	18.38	kJ/mol	Joback Calculated Property
ΔvapH°	65.80	kJ/mol	Joback Calculated Property
log10WS	-3.45		Crippen Calculated Property
logPoct/wat	3.378		Crippen Calculated Property
McVol	172.220	ml/mol	McGowan Calculated Property
Pc	2668.02	kPa	Joback Calculated Property
Inp	[1325.00; 1325.00]
Inp	1325.00		NIST
Inp	1325.00		NIST
Tboil	646.44	K	Joback Calculated Property
Tc	847.77	K	Joback Calculated Property
Tfus	377.39	K	Joback Calculated Property
Vc	0.646	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[469.07; 549.98]	J/mol×K	[646.44; 847.77]
Cp,gas	469.07	J/mol×K	646.44	Joback Calculated Property
Cp,gas	484.04	J/mol×K	680.00	Joback Calculated Property
Cp,gas	498.28	J/mol×K	713.55	Joback Calculated Property
Cp,gas	511.90	J/mol×K	747.11	Joback Calculated Property
Cp,gas	524.99	J/mol×K	780.66	Joback Calculated Property
Cp,gas	537.65	J/mol×K	814.22	Joback Calculated Property
Cp,gas	549.98	J/mol×K	847.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Z)-3,3-dimethylcyclohexane-«DELTA»1,«beta»-ethyl acetate.

Sources

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

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