Chemical Properties of 4«alpha»-Methoxy-1,1,2«alpha»,5-tetramethyldecahydrocyclopenta[cd]indene

InChI

InChI=1S/C16H28O/c1-10-6-7-13-14-12(11(2)15(13,3)4)8-9-16(10,14)17-5/h10-14H,6-9H2,1-5H3/t10?,11-,12?,13?,14?,16-/m1/s1

InChI Key

BVPRXVDZWQTZNK-FPRRYFPDSA-N

Formula

C16H28O

SMILES

COC12CCC3C(C)C(C)(C)C(CCC1C)C32

Molecular Weight¹

236.39

• 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 : 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°	95.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-350.59	kJ/mol	Joback Calculated Property
ΔfusH°	20.28	kJ/mol	Joback Calculated Property
ΔvapH°	50.17	kJ/mol	Joback Calculated Property
log10WS	-3.95		Crippen Calculated Property
logPoct/wat	4.120		Crippen Calculated Property
McVol	209.590	ml/mol	McGowan Calculated Property
Pc	1775.84	kPa	Joback Calculated Property
I	[2123.00; 2123.00]
I	2123.00		NIST
I	2123.00		NIST
Tboil	598.46	K	Joback Calculated Property
Tc	814.09	K	Joback Calculated Property
Tfus	369.93	K	Joback Calculated Property
Vc	0.796	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[608.51; 741.05]	J/mol×K	[598.46; 814.09]
Cp,gas	608.51	J/mol×K	598.46	Joback Calculated Property
Cp,gas	633.28	J/mol×K	634.40	Joback Calculated Property
Cp,gas	656.67	J/mol×K	670.34	Joback Calculated Property
Cp,gas	678.91	J/mol×K	706.28	Joback Calculated Property
Cp,gas	700.22	J/mol×K	742.22	Joback Calculated Property
Cp,gas	720.86	J/mol×K	778.15	Joback Calculated Property
Cp,gas	741.05	J/mol×K	814.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4«alpha»-Methoxy-1,1,2«alpha»,5-tetramethyldecahydrocyclopenta[cd]indene.

Sources

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

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