Chemical Properties of 1-Phenanthrenecarboxaldehyde, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1S-(1«alpha»,4a«alpha»,10a«beta»)]- (CAS 24035-50-5)

InChI

InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3

InChI Key

YCLCHPWRGSDZKL-UHFFFAOYSA-N

Formula

C20H28O

SMILES

CC(C)c1ccc2c(c1)CCC1C(C)(C=O)CCCC21C

Molecular Weight¹

284.44

CAS

24035-50-5

Other Names

• Podocarpa-8,11,13-trien-16-al, 13-isopropyl-
• 4-Epiabietal, dehydro-
• (1S,4aS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carbaldehyde

• 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	0.5241		Relay (... Calculated Property
ΔfG°	187.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-213.06	kJ/mol	Relay (... Calculated Property
ΔfusH°	20.13	kJ/mol	Joback Calculated Property
ΔvapH°	94.04	kJ/mol	Relay (... Calculated Property
IE	8.02	eV	Relay (... Calculated Property
log10WS	-5.79		Relay (... Calculated Property
logPoct/wat	5.019		Crippen Calculated Property
McVol	248.750	ml/mol	McGowan Calculated Property
Pc	1753.60	kPa	Joback Calculated Property
Inp	[2289.20; 2289.20]
Inp	2289.20		NIST
Inp	2289.20		NIST
Tboil	631.84	K	Relay (... Calculated Property
Tc	895.01	K	Relay (... Calculated Property
Tfus	341.43	K	Relay (... Calculated Property
Vc	0.879	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[764.98; 900.19]	J/mol×K	[759.69; 996.72]
Cp,gas	764.98	J/mol×K	759.69	Joback Calculated Property
Cp,gas	787.50	J/mol×K	799.19	Joback Calculated Property
Cp,gas	809.58	J/mol×K	838.70	Joback Calculated Property
Cp,gas	831.56	J/mol×K	878.20	Joback Calculated Property
Cp,gas	853.76	J/mol×K	917.71	Joback Calculated Property
Cp,gas	876.53	J/mol×K	957.21	Joback Calculated Property
Cp,gas	900.19	J/mol×K	996.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Phenanthrenecarboxaldehyde, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1S-(1«alpha»,4a«alpha»,10a«beta»)]-.

Sources

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

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