Chemical Properties of endo-1-Bourbonanol (CAS 131435-09-1)

InChI

InChI=1S/C15H26O/c1-9(2)10-5-7-14(3)11-6-8-15(4,16)13(11)12(10)14/h9-13,16H,5-8H2,1-4H3/t10-,11+,12?,13-,14-,15-/m1/s1

InChI Key

HNNQYJPDMHXZMQ-AFYRIXKGSA-N

Formula

C15H26O

SMILES

CC(C)C1CCC2(C)C3CCC(C)(O)C3C12

Molecular Weight¹

222.37

CAS

131435-09-1

Other Names

• Bourbonanol (endo-1)
• endo Bourbonanol

• 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.
• 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°	72.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-328.74	kJ/mol	Joback Calculated Property
ΔfusH°	18.09	kJ/mol	Joback Calculated Property
ΔvapH°	61.96	kJ/mol	Joback Calculated Property
log10WS	-3.71		Crippen Calculated Property
logPoct/wat	3.466		Crippen Calculated Property
McVol	195.500	ml/mol	McGowan Calculated Property
Pc	2159.31	kPa	Joback Calculated Property
Inp	[1515.00; 1532.00]
Inp	Outlier 1532.00		NIST
Inp	1515.00		NIST
Inp	1518.00		NIST
Inp	1516.00		NIST
Inp	1522.00		NIST
Inp	1520.00		NIST
Inp	1520.00		NIST
Inp	1520.00		NIST
Inp	1520.00		NIST
Inp	1520.00		NIST
Inp	1516.00		NIST
I	[2048.00; 2048.00]
I	2048.00		NIST
I	2048.00		NIST
Tboil	645.30	K	Joback Calculated Property
Tc	849.11	K	Joback Calculated Property
Tfus	390.01	K	Joback Calculated Property
Vc	0.745	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[596.91; 705.32]	J/mol×K	[645.30; 849.11]
Cp,gas	596.91	J/mol×K	645.30	Joback Calculated Property
Cp,gas	616.48	J/mol×K	679.27	Joback Calculated Property
Cp,gas	635.16	J/mol×K	713.24	Joback Calculated Property
Cp,gas	653.15	J/mol×K	747.21	Joback Calculated Property
Cp,gas	670.70	J/mol×K	781.17	Joback Calculated Property
Cp,gas	688.01	J/mol×K	815.14	Joback Calculated Property
Cp,gas	705.32	J/mol×K	849.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to endo-1-Bourbonanol.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.