Chemical Properties of 3-Oxo-p-menth-1-en-7-al (CAS 160152-34-1)

InChI

InChI=1S/C10H14O2/c1-7(2)9-4-3-8(6-11)5-10(9)12/h5-7,9H,3-4H2,1-2H3

InChI Key

BUAQHWMVENOIOI-UHFFFAOYSA-N

Formula

C10H14O2

SMILES

CC(C)C1CCC(C=O)=CC1=O

Molecular Weight¹

166.22

CAS

160152-34-1

• 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°	-146.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-377.66	kJ/mol	Joback Calculated Property
ΔfusH°	12.60	kJ/mol	Joback Calculated Property
ΔvapH°	49.82	kJ/mol	Joback Calculated Property
log10WS	-1.83		Crippen Calculated Property
logPoct/wat	1.747		Crippen Calculated Property
McVol	139.740	ml/mol	McGowan Calculated Property
Pc	2969.80	kPa	Joback Calculated Property
Inp	[1336.00; 1336.00]
Inp	1336.00		NIST
Inp	1336.00		NIST
Tboil	567.93	K	Joback Calculated Property
Tc	792.78	K	Joback Calculated Property
Tfus	318.34	K	Joback Calculated Property
Vc	0.532	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[343.45; 427.47]	J/mol×K	[567.93; 792.78]
Cp,gas	343.45	J/mol×K	567.93	Joback Calculated Property
Cp,gas	359.63	J/mol×K	605.40	Joback Calculated Property
Cp,gas	374.95	J/mol×K	642.88	Joback Calculated Property
Cp,gas	389.41	J/mol×K	680.35	Joback Calculated Property
Cp,gas	402.98	J/mol×K	717.83	Joback Calculated Property
Cp,gas	415.67	J/mol×K	755.30	Joback Calculated Property
Cp,gas	427.47	J/mol×K	792.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Oxo-p-menth-1-en-7-al.

Sources

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

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