Chemical Properties of ethyl (E)-3,3-dimethylcyclohexane-«DELTA»1,«alpha»-acetate

InChI

InChI=1S/C12H20O2/c1-4-14-11(13)8-10-6-5-7-12(2,3)9-10/h8H,4-7,9H2,1-3H3/b10-8+

InChI Key

BKHNGPZOPOPDCJ-CSKARUKUSA-N

Formula

C12H20O2

SMILES

CCOC(=O)C=C1CCCC(C)(C)C1

Molecular Weight¹

196.29

• 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_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
ω	0.4545		Relay (... Calculated Property
ΔfG°	-119.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-488.30	kJ/mol	Relay (... Calculated Property
ΔfusH°	15.48	kJ/mol	Joback Calculated Property
ΔvapH°	64.55	kJ/mol	Relay (... Calculated Property
IE	9.00	eV	Relay (... Calculated Property
log10WS	-3.53		Relay (... Calculated Property
logPoct/wat	3.076		Crippen Calculated Property
McVol	172.220	ml/mol	McGowan Calculated Property
Pc	2391.19	kPa	Joback Calculated Property
Inp	[1345.00; 1345.00]
Inp	1345.00		NIST
Inp	1345.00		NIST
Tboil	508.74	K	Relay (... Calculated Property
Tc	701.86	K	Relay (... Calculated Property
Tfus	260.10	K	Relay (... Calculated Property
Vc	0.599	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[433.97; 528.49]	J/mol×K	[576.68; 790.27]
Cp,gas	433.97	J/mol×K	576.68	Joback Calculated Property
Cp,gas	451.86	J/mol×K	612.28	Joback Calculated Property
Cp,gas	468.76	J/mol×K	647.88	Joback Calculated Property
Cp,gas	484.77	J/mol×K	683.48	Joback Calculated Property
Cp,gas	499.99	J/mol×K	719.08	Joback Calculated Property
Cp,gas	514.53	J/mol×K	754.67	Joback Calculated Property
Cp,gas	528.49	J/mol×K	790.27	Joback Calculated Property

Similar Compounds

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

Sources

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

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