Chemical Properties of (2S,3aR,3bR,4R,7aS)-7,7,8,8-Tetramethyloctahydro-2,3b-methanocyclopenta[1,3]cyclopropa[1,2]benzen-4-ol (CAS 74841-81-9)

InChI

InChI=1S/C15H24O/c1-12(2)6-5-11(16)15-10-7-9(13(15,3)4)8-14(10,12)15/h9-11,16H,5-8H2,1-4H3

InChI Key

URRFLKHHGNPGCX-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CC1(C)CCC(O)C23C4CC(CC412)C3(C)C

Molecular Weight¹

220.35

CAS

74841-81-9

• 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°	148.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-207.86	kJ/mol	Joback Calculated Property
ΔfusH°	11.35	kJ/mol	Joback Calculated Property
ΔvapH°	59.61	kJ/mol	Joback Calculated Property
log10WS	-3.61		Crippen Calculated Property
logPoct/wat	3.220		Crippen Calculated Property
McVol	184.640	ml/mol	McGowan Calculated Property
Pc	2525.19	kPa	Joback Calculated Property
Inp	[1518.70; 1518.70]
Inp	1518.70		NIST
Inp	1518.70		NIST
Tboil	644.42	K	Joback Calculated Property
Tc	859.30	K	Joback Calculated Property
Tfus	477.79	K	Joback Calculated Property
Vc	0.720	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[571.32; 679.14]	J/mol×K	[644.42; 859.30]
Cp,gas	571.32	J/mol×K	644.42	Joback Calculated Property
Cp,gas	589.13	J/mol×K	680.23	Joback Calculated Property
Cp,gas	606.38	J/mol×K	716.05	Joback Calculated Property
Cp,gas	623.54	J/mol×K	751.86	Joback Calculated Property
Cp,gas	641.07	J/mol×K	787.68	Joback Calculated Property
Cp,gas	659.45	J/mol×K	823.49	Joback Calculated Property
Cp,gas	679.14	J/mol×K	859.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to (2S,3aR,3bR,4R,7aS)-7,7,8,8-Tetramethyloctahydro-2,3b-methanocyclopenta[1,3]cyclopropa[1,2]benzen-4-ol.

Sources

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

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