Chemical Properties of 4b,8-Dimethyl-2-isopropylphenanthrene, 4b,5,6,7,8,8a,9,10-octahydro-

InChI

InChI=1S/C19H28/c1-13(2)15-7-10-18-16(12-15)8-9-17-14(3)6-5-11-19(17,18)4/h7,10,12-14,17H,5-6,8-9,11H2,1-4H3

InChI Key

DAYLDISWSXEJLN-UHFFFAOYSA-N

Formula

C19H28

SMILES

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

Molecular Weight¹

256.43

Other Names

• 18-Norabieta-8,11,13-triene
• 19-norabieta-8,11,13-triene

• 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°	283.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-99.00	kJ/mol	Joback Calculated Property
ΔfusH°	21.55	kJ/mol	Joback Calculated Property
ΔvapH°	59.81	kJ/mol	Joback Calculated Property
log10WS	-5.75		Crippen Calculated Property
logPoct/wat	5.450		Crippen Calculated Property
McVol	233.090	ml/mol	McGowan Calculated Property
Pc	1720.31	kPa	Joback Calculated Property
Inp	[1969.00; 1969.00]
Inp	1969.00		NIST
Inp	1969.00		NIST
Tboil	687.91	K	Joback Calculated Property
Tc	920.50	K	Joback Calculated Property
Tfus	388.85	K	Joback Calculated Property
Vc	0.880	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[686.99; 813.55]	J/mol×K	[687.91; 920.50]
Cp,gas	686.99	J/mol×K	687.91	Joback Calculated Property
Cp,gas	710.61	J/mol×K	726.68	Joback Calculated Property
Cp,gas	732.95	J/mol×K	765.44	Joback Calculated Property
Cp,gas	754.20	J/mol×K	804.21	Joback Calculated Property
Cp,gas	774.58	J/mol×K	842.97	Joback Calculated Property
Cp,gas	794.29	J/mol×K	881.74	Joback Calculated Property
Cp,gas	813.55	J/mol×K	920.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4b,8-Dimethyl-2-isopropylphenanthrene, 4b,5,6,7,8,8a,9,10-octahydro-.

Sources

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

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