Chemical Properties of (Z)-2-((8R,8aS)-8,8a-Dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-ylidene)propanal (CAS 137695-20-6)

InChI

InChI=1S/C15H22O/c1-11(10-16)13-7-8-14-6-4-5-12(2)15(14,3)9-13/h6,10,12H,4-5,7-9H2,1-3H3/b13-11-

InChI Key

SVFQWLHYXVFRHQ-QBFSEMIESA-N

Formula

C15H22O

SMILES

CC(C=O)=C1CCC2=CCCC(C)C2(C)C1

Molecular Weight¹

218.33

CAS

137695-20-6

Other Names

• Propanal, 2-[(8R,8aS)-3,4,6,7,8,8a-hexahydro-8,8a-dimethyl-2(1H)-naphthalenylidene]-, (2Z)-
• Propanal, 2-(3,4,6,7,8,8a-hexahydro-8,8a-dimethyl-2(1H)-naphthalenylidene)-, [8R-(2Z,8«alpha»,8a«alpha»)]-
• (Z)-Isovalencenal

• 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	0.3522		Relay (... Calculated Property
ΔfG°	100.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-122.28	kJ/mol	Relay (... Calculated Property
ΔfusH°	18.31	kJ/mol	Joback Calculated Property
ΔvapH°	75.01	kJ/mol	Relay (... Calculated Property
IE	8.64	eV	Relay (... Calculated Property
log10WS	-3.69		Relay (... Calculated Property
logPoct/wat	4.048		Crippen Calculated Property
McVol	193.460	ml/mol	McGowan Calculated Property
Pc	2216.62	kPa	Joback Calculated Property
Inp	[1812.00; 1812.00]
Inp	1812.00		NIST
Inp	1812.00		NIST
Tboil	561.48	K	Relay (... Calculated Property
Tc	804.95	K	Relay (... Calculated Property
Tfus	345.31	K	Relay (... Calculated Property
Vc	0.646	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[527.12; 633.20]	J/mol×K	[632.72; 861.77]
Cp,gas	527.12	J/mol×K	632.72	Joback Calculated Property
Cp,gas	547.19	J/mol×K	670.90	Joback Calculated Property
Cp,gas	566.08	J/mol×K	709.07	Joback Calculated Property
Cp,gas	583.95	J/mol×K	747.25	Joback Calculated Property
Cp,gas	600.97	J/mol×K	785.42	Joback Calculated Property
Cp,gas	617.33	J/mol×K	823.60	Joback Calculated Property
Cp,gas	633.20	J/mol×K	861.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Z)-2-((8R,8aS)-8,8a-Dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-ylidene)propanal.

Sources

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

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