Chemical Properties of 4-Hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-ene-1-carboxaldehyde (CAS 141891-14-7)

InChI

InChI=1S/C10H14O3/c1-6-7(5-11)10(2,3)4-8(12)9(6)13/h5,8,12H,4H2,1-3H3

InChI Key

PNYLZZYIHSNTOD-UHFFFAOYSA-N

Formula

C10H14O3

SMILES

CC1=C(C=O)C(C)(C)CC(O)C1=O

Molecular Weight¹

182.22

CAS

141891-14-7

• 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°	-303.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-541.18	kJ/mol	Joback Calculated Property
ΔfusH°	14.60	kJ/mol	Joback Calculated Property
ΔvapH°	66.09	kJ/mol	Joback Calculated Property
log10WS	-1.45		Crippen Calculated Property
logPoct/wat	0.862		Crippen Calculated Property
McVol	145.610	ml/mol	McGowan Calculated Property
Pc	3250.43	kPa	Joback Calculated Property
Inp	[1258.00; 1346.20]
Inp	1258.00		NIST
Inp	1346.20		NIST
Inp	1346.20		NIST
Inp	1258.00		NIST
Tboil	661.10	K	Joback Calculated Property
Tc	873.46	K	Joback Calculated Property
Tfus	426.34	K	Joback Calculated Property
Vc	0.554	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[396.61; 467.85]	J/mol×K	[661.10; 873.46]
Cp,gas	396.61	J/mol×K	661.10	Joback Calculated Property
Cp,gas	409.63	J/mol×K	696.49	Joback Calculated Property
Cp,gas	422.11	J/mol×K	731.89	Joback Calculated Property
Cp,gas	434.11	J/mol×K	767.28	Joback Calculated Property
Cp,gas	445.69	J/mol×K	802.67	Joback Calculated Property
Cp,gas	456.92	J/mol×K	838.06	Joback Calculated Property
Cp,gas	467.85	J/mol×K	873.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-ene-1-carboxaldehyde.

Sources

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

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