Chemical Properties of 2-((2R,4aR,8aS)-4a-Methyl-8-methylenedecahydronaphthalen-2-yl)acrylaldehyde (CAS 3650-40-6)

InChI

InChI=1S/C15H22O/c1-11-5-4-7-15(3)8-6-13(9-14(11)15)12(2)10-16/h10,13-14H,1-2,4-9H2,3H3

InChI Key

QTCANKDTWWSCMR-UHFFFAOYSA-N

Formula

C15H22O

SMILES

C=C(C=O)C1CCC2(C)CCCC(=C)C2C1

Molecular Weight¹

218.33

CAS

3650-40-6

• 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	0.3860		Relay (1.0) Calculated Property
ΔfG°	168.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-147.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.79	kJ/mol	Joback Calculated Property
ΔvapH°	71.65	kJ/mol	Relay (1.0) Calculated Property
IE	9.07	eV	Relay (1.0) Calculated Property
log10WS	-4.01		Relay (1.0) Calculated Property
logPoct/wat	3.904		Crippen Calculated Property
McVol	193.460	ml/mol	McGowan Calculated Property
Pc	2171.40	kPa	Joback Calculated Property
Inp	[1691.40; 1691.40]
Inp	1691.40		NIST
Inp	1691.40		NIST
Tboil	563.79	K	Relay (1.0) Calculated Property
Tc	807.32	K	Relay (1.0) Calculated Property
Tfus	271.80	K	Relay (1.0) Calculated Property
Vc	0.637	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[526.60; 637.86]	J/mol×K	[613.11; 838.98]
Cp,gas	526.60	J/mol×K	613.11	Joback Calculated Property
Cp,gas	547.91	J/mol×K	650.75	Joback Calculated Property
Cp,gas	567.89	J/mol×K	688.40	Joback Calculated Property
Cp,gas	586.72	J/mol×K	726.04	Joback Calculated Property
Cp,gas	604.55	J/mol×K	763.69	Joback Calculated Property
Cp,gas	621.54	J/mol×K	801.33	Joback Calculated Property
Cp,gas	637.86	J/mol×K	838.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-((2R,4aR,8aS)-4a-Methyl-8-methylenedecahydronaphthalen-2-yl)acrylaldehyde.

Sources

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

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