Chemical Properties of 8a-Isopropyl-3-methyl-1,2,4,5,8,8a-hexahydroazulene-6-carbaldehyde (CAS 311351-24-3)

InChI

InChI=1S/C15H22O/c1-11(2)15-8-6-12(3)14(15)5-4-13(10-16)7-9-15/h7,10-11H,4-6,8-9H2,1-3H3

InChI Key

MWDZEHCTRAXXDY-UHFFFAOYSA-N

Formula

C15H22O

SMILES

CC1=C2CCC(C=O)=CCC2(C(C)C)CC1

Molecular Weight¹

218.33

CAS

311351-24-3

• 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	0.3654		Relay (1.0) Calculated Property
ΔfG°	79.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-83.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.15	kJ/mol	Joback Calculated Property
ΔvapH°	74.20	kJ/mol	Relay (1.0) Calculated Property
IE	8.84	eV	Relay (1.0) Calculated Property
log10WS	-3.35		Relay (1.0) Calculated Property
logPoct/wat	4.048		Crippen Calculated Property
McVol	193.460	ml/mol	McGowan Calculated Property
Pc	2244.00	kPa	Joback Calculated Property
Inp	[1693.60; 1693.60]
Inp	1693.60		NIST
Inp	1693.60		NIST
Tboil	562.95	K	Relay (1.0) Calculated Property
Tc	805.93	K	Relay (1.0) Calculated Property
Tfus	317.42	K	Relay (1.0) Calculated Property
Vc	0.633	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[525.33; 627.07]	J/mol×K	[639.55; 866.52]
Cp,gas	525.33	J/mol×K	639.55	Joback Calculated Property
Cp,gas	544.47	J/mol×K	677.38	Joback Calculated Property
Cp,gas	562.52	J/mol×K	715.21	Joback Calculated Property
Cp,gas	579.64	J/mol×K	753.03	Joback Calculated Property
Cp,gas	596.00	J/mol×K	790.86	Joback Calculated Property
Cp,gas	611.75	J/mol×K	828.69	Joback Calculated Property
Cp,gas	627.07	J/mol×K	866.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to 8a-Isopropyl-3-methyl-1,2,4,5,8,8a-hexahydroazulene-6-carbaldehyde.

Sources

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

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