Chemical Properties of Trachylobane (CAS 5282-35-9)

InChI

InChI=1S/C20H32/c1-17(2)7-5-8-18(3)15(17)6-9-20-11-14-13(10-16(18)20)19(14,4)12-20/h13-16H,5-12H2,1-4H3

InChI Key

JTJZAWZRQPNBLR-UHFFFAOYSA-N

Formula

C20H32

SMILES

CC1(C)CCCC2(C)C1CCC13CC4C(CC12)C4(C)C3

Molecular Weight¹

272.47

CAS

5282-35-9

Other Names

• (-)-Trachylobane
• Trachyloban
• 6a,8-Methano-6aH-cyclopropa[b]phenanthrene, tetradecahydro-4,4,7a,9b-tetramethyl-, [4aR-(4a«alpha»,6a«beta»,7a«alpha»,8«beta»,8a«alpha»,9a«alpha»,9b«beta»)]-
• 6a,8-Methano-6aH-cyclopropa[b]phenanthrene, tetradecahydro-4,4,7a,9b-tetramethyl-, (4aR,6aS,7aR,8S,8aR,9aR,9bR)-

• 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.
• I : 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°	364.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-98.35	kJ/mol	Joback Calculated Property
ΔfusH°	14.15	kJ/mol	Joback Calculated Property
ΔvapH°	54.32	kJ/mol	Joback Calculated Property
log10WS	-5.73		Crippen Calculated Property
logPoct/wat	5.665		Crippen Calculated Property
McVol	238.360	ml/mol	McGowan Calculated Property
Pc	1762.45	kPa	Joback Calculated Property
Inp	[1965.00; 1993.00]
Inp	1965.00		NIST
Inp	1993.00		NIST
I	[2279.00; 2318.00]
I	2279.00		NIST
I	2318.00		NIST
I	2279.00		NIST
Tboil	681.92	K	Joback Calculated Property
Tc	923.85	K	Joback Calculated Property
Tfus	484.22	K	Joback Calculated Property
Vc	0.921	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[766.87; 933.65]	J/mol×K	[681.92; 923.85]
Cp,gas	766.87	J/mol×K	681.92	Joback Calculated Property
Cp,gas	793.78	J/mol×K	722.24	Joback Calculated Property
Cp,gas	820.10	J/mol×K	762.56	Joback Calculated Property
Cp,gas	846.54	J/mol×K	802.89	Joback Calculated Property
Cp,gas	873.80	J/mol×K	843.21	Joback Calculated Property
Cp,gas	902.61	J/mol×K	883.53	Joback Calculated Property
Cp,gas	933.65	J/mol×K	923.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Trachylobane.

Sources

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

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