Chemical Properties of (Z)-3,3-dimethylcyclohexane-«DELTA»1,«alpha»-acetic acid

InChI

InChI=1S/C10H16O2/c1-10(2)5-3-4-8(7-10)6-9(11)12/h6H,3-5,7H2,1-2H3,(H,11,12)/b8-6-

InChI Key

LKJIOHQBVGRPCO-VURMDHGXSA-N

Formula

C10H16O2

SMILES

CC1(C)CCCC(=CC(=O)O)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°	-168.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-368.95	kJ/mol	Joback Calculated Property
ΔfusH°	13.20	kJ/mol	Joback Calculated Property
ΔvapH°	61.34	kJ/mol	Joback Calculated Property
log10WS	-2.61		Crippen Calculated Property
logPoct/wat	2.598		Crippen Calculated Property
McVol	144.040	ml/mol	McGowan Calculated Property
Pc	3287.81	kPa	Joback Calculated Property
Inp	[1330.00; 1330.00]
Inp	1330.00		NIST
Inp	1330.00		NIST
Tboil	600.68	K	Joback Calculated Property
Tc	807.94	K	Joback Calculated Property
Tfus	354.85	K	Joback Calculated Property
Vc	0.534	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[369.08; 442.09]	J/mol×K	[600.68; 807.94]
Cp,gas	369.08	J/mol×K	600.68	Joback Calculated Property
Cp,gas	382.81	J/mol×K	635.22	Joback Calculated Property
Cp,gas	395.77	J/mol×K	669.77	Joback Calculated Property
Cp,gas	408.08	J/mol×K	704.31	Joback Calculated Property
Cp,gas	419.84	J/mol×K	738.85	Joback Calculated Property
Cp,gas	431.14	J/mol×K	773.39	Joback Calculated Property
Cp,gas	442.09	J/mol×K	807.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Z)-3,3-dimethylcyclohexane-«DELTA»1,«alpha»-acetic acid.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.