Chemical Properties of 3,3-dimethylcyclohex-6-en-1-yl acetate

InChI

InChI=1S/C10H16O2/c1-8(11)12-9-5-4-6-10(2,3)7-9/h5H,4,6-7H2,1-3H3

InChI Key

ZCVJWHUHIYWLMG-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

CC(=O)OC1=CCCC(C)(C)C1

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_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°	-161.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-378.66	kJ/mol	Joback Calculated Property
ΔfusH°	10.81	kJ/mol	Joback Calculated Property
ΔvapH°	47.24	kJ/mol	Joback Calculated Property
log10WS	-2.87		Crippen Calculated Property
logPoct/wat	2.643		Crippen Calculated Property
McVol	144.040	ml/mol	McGowan Calculated Property
Pc	2887.40	kPa	Joback Calculated Property
Inp	[1158.00; 1158.00]
Inp	1158.00		NIST
Inp	1158.00		NIST
Tboil	528.42	K	Joback Calculated Property
Tc	745.55	K	Joback Calculated Property
Tfus	319.18	K	Joback Calculated Property
Vc	0.536	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[337.44; 422.17]	J/mol×K	[528.42; 745.55]
Cp,gas	337.44	J/mol×K	528.42	Joback Calculated Property
Cp,gas	353.63	J/mol×K	564.61	Joback Calculated Property
Cp,gas	368.87	J/mol×K	600.80	Joback Calculated Property
Cp,gas	383.24	J/mol×K	636.99	Joback Calculated Property
Cp,gas	396.86	J/mol×K	673.18	Joback Calculated Property
Cp,gas	409.80	J/mol×K	709.36	Joback Calculated Property
Cp,gas	422.17	J/mol×K	745.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,3-dimethylcyclohex-6-en-1-yl acetate.

Sources

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

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