Chemical Properties of 2-Methylisoborneol (CAS 2371-42-8)

InChI

InChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/t8?,10?,11-/m1/s1

InChI Key

LFYXNXGVLGKVCJ-BOBPJJCASA-N

Formula

C11H20O

SMILES

CC1(O)CC2CCC1(C)C2(C)C

Molecular Weight¹

168.28

CAS

2371-42-8

• 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	0.4570		Relay (1.0) Calculated Property
ΔfG°	-17.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-273.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	5.75	kJ/mol	Joback Calculated Property
ΔvapH°	67.67	kJ/mol	Relay (1.0) Calculated Property
IE	8.70	eV	Relay (1.0) Calculated Property
log10WS	-2.47		Relay (1.0) Calculated Property
logPoct/wat	2.584		Crippen Calculated Property
McVol	150.000	ml/mol	McGowan Calculated Property
Pc	2992.59	kPa	Joback Calculated Property
Inp	[1158.00; 1210.00]
Inp	1197.00		NIST
Inp	1188.00		NIST
Inp	1210.00		NIST
Inp	1201.00		NIST
Inp	1180.00		NIST
Inp	1204.00		NIST
Inp	1158.00		NIST
Inp	1210.00		NIST
Inp	1164.00		NIST
Inp	1164.00		NIST
Inp	1183.00		NIST
Inp	1158.00		NIST
I	[1562.00; 1622.00]
I	1602.00		NIST
I	1599.00		NIST
I	1592.00		NIST
I	1592.00		NIST
I	1622.00		NIST
I	1562.00		NIST
I	1562.00		NIST
I	1592.00		NIST
I	1602.00		NIST
Tboil	484.73	K	Relay (1.0) Calculated Property
Tc	734.27	K	Relay (1.0) Calculated Property
Tfus	463.12	K	Relay (1.0) Calculated Property
Vc	0.527	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[401.39; 486.80]	J/mol×K	[552.39; 758.28]
Cp,gas	401.39	J/mol×K	552.39	Joback Calculated Property
Cp,gas	417.57	J/mol×K	586.70	Joback Calculated Property
Cp,gas	432.61	J/mol×K	621.02	Joback Calculated Property
Cp,gas	446.78	J/mol×K	655.33	Joback Calculated Property
Cp,gas	460.35	J/mol×K	689.65	Joback Calculated Property
Cp,gas	473.60	J/mol×K	723.96	Joback Calculated Property
Cp,gas	486.80	J/mol×K	758.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Methylisoborneol.

Sources

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

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