Chemical Properties of 2«beta»-hydroxy-6«beta»-cyanide-trans-decalin

InChI

InChI=1S/C11H17NO/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h8-11,13H,1-6H2/t8-,9?,10?,11-/m1/s1

InChI Key

NVYYORRRKLMLII-AGVGLQIMSA-N

Formula

C11H17NO

SMILES

N#CC1CCC2CC(O)CCC2C1

Molecular Weight¹

179.26

• 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.
• 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
ω	0.5386		Relay (1.0) Calculated Property
ΔfG°	95.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-200.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.85	kJ/mol	Joback Calculated Property
ΔvapH°	97.07	kJ/mol	Relay (1.0) Calculated Property
IE	9.45	eV	Relay (1.0) Calculated Property
log10WS	-2.48		Relay (1.0) Calculated Property
logPoct/wat	2.087		Crippen Calculated Property
McVol	151.380	ml/mol	McGowan Calculated Property
Pc	2732.56	kPa	Joback Calculated Property
Inp	1620.00		NIST
I	[2815.00; 2815.00]
I	2815.00		NIST
I	2815.00		NIST
Tboil	584.69	K	Relay (1.0) Calculated Property
Tc	821.28	K	Relay (1.0) Calculated Property
Tfus	417.38	K	Relay (1.0) Calculated Property
Vc	0.532	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[448.80; 531.18]	J/mol×K	[666.56; 883.67]
Cp,gas	448.80	J/mol×K	666.56	Joback Calculated Property
Cp,gas	465.08	J/mol×K	702.75	Joback Calculated Property
Cp,gas	480.28	J/mol×K	738.93	Joback Calculated Property
Cp,gas	494.45	J/mol×K	775.12	Joback Calculated Property
Cp,gas	507.63	J/mol×K	811.30	Joback Calculated Property
Cp,gas	519.86	J/mol×K	847.49	Joback Calculated Property
Cp,gas	531.18	J/mol×K	883.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2«beta»-hydroxy-6«beta»-cyanide-trans-decalin.

Sources

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

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