Chemical Properties of (5R)-5-Methyl-5-hydroxymethylbicyclo[2.2.1]hept-2-ene

InChI

InChI=1S/C9H14O/c1-9(6-10)5-7-2-3-8(9)4-7/h2-3,7-8,10H,4-6H2,1H3/t7?,8?,9-/m0/s1

InChI Key

WNHHRXSVKWWRJY-HACHORDNSA-N

Formula

C9H14O

SMILES

CC1(CO)CC2C=CC1C2

Molecular Weight¹

138.21

• 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.
• 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	0.4968		Relay (... Calculated Property
ΔfG°	14.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-164.69	kJ/mol	Relay (... Calculated Property
ΔfusH°	13.32	kJ/mol	Joback Calculated Property
ΔvapH°	70.95	kJ/mol	Relay (... Calculated Property
IE	8.62	eV	Relay (... Calculated Property
log10WS	-2.45		Relay (... Calculated Property
logPoct/wat	1.581		Crippen Calculated Property
McVol	117.520	ml/mol	McGowan Calculated Property
Pc	3642.13	kPa	Joback Calculated Property
Inp	[1089.00; 1089.00]
Inp	1089.00		NIST
Inp	1089.00		NIST
Tboil	477.65	K	Relay (... Calculated Property
Tc	707.49	K	Relay (... Calculated Property
Tfus	351.46	K	Relay (... Calculated Property
Vc	0.410	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[289.66; 360.90]	J/mol×K	[509.98; 707.86]
Cp,gas	289.66	J/mol×K	509.98	Joback Calculated Property
Cp,gas	303.65	J/mol×K	542.96	Joback Calculated Property
Cp,gas	316.63	J/mol×K	575.94	Joback Calculated Property
Cp,gas	328.73	J/mol×K	608.92	Joback Calculated Property
Cp,gas	340.07	J/mol×K	641.90	Joback Calculated Property
Cp,gas	350.75	J/mol×K	674.88	Joback Calculated Property
Cp,gas	360.90	J/mol×K	707.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to (5R)-5-Methyl-5-hydroxymethylbicyclo[2.2.1]hept-2-ene.

Sources

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

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