Chemical Properties of «beta»-Copaen-4-«alpha»-ol (CAS 124753-76-0)

InChI

InChI=1S/C15H24O/c1-8(2)10-5-6-15(4)11-7-12(16)9(3)14(15)13(10)11/h8,10-14,16H,3,5-7H2,1-2,4H3

InChI Key

LPXOPRGPLUWGKB-UHFFFAOYSA-N

Formula

C15H24O

SMILES

C=C1C(O)CC2C3C(C(C)C)CCC2(C)C13

Molecular Weight¹

220.35

CAS

124753-76-0

Other Names

• «beta»-Copaene-4«alpha»-ol

• 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°	130.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-259.74	kJ/mol	Joback Calculated Property
ΔfusH°	23.23	kJ/mol	Joback Calculated Property
ΔvapH°	63.27	kJ/mol	Joback Calculated Property
log10WS	-3.56		Crippen Calculated Property
logPoct/wat	3.242		Crippen Calculated Property
McVol	191.200	ml/mol	McGowan Calculated Property
Pc	2108.07	kPa	Joback Calculated Property
Inp	[1556.00; 1596.30]
Inp	1585.00		NIST
Inp	1584.00		NIST
Inp	1565.00		NIST
Inp	1583.00		NIST
Inp	1579.00		NIST
Inp	1585.00		NIST
Inp	1570.00		NIST
Inp	1565.00		NIST
Inp	1575.00		NIST
Inp	1579.00		NIST
Inp	1570.00		NIST
Inp	1579.00		NIST
Inp	1596.30		NIST
Inp	1595.00		NIST
Inp	1585.00		NIST
Inp	1572.00		NIST
Inp	1589.00		NIST
Inp	1590.00		NIST
Inp	1587.00		NIST
Inp	1589.00		NIST
Inp	1594.00		NIST
Inp	1591.00		NIST
Inp	1588.00		NIST
Inp	1586.00		NIST
Inp	1572.00		NIST
Inp	1586.00		NIST
Inp	1581.00		NIST
Inp	1575.00		NIST
Inp	1586.00		NIST
Inp	1575.00		NIST
Inp	1595.00		NIST
Inp	1591.00		NIST
Inp	1584.00		NIST
Inp	Outlier 1556.00		NIST
Inp	1595.00		NIST
Inp	1587.00		NIST
Inp	1586.00		NIST
Inp	1596.30		NIST
I	[2135.00; 2141.00]
I	2141.00		NIST
I	2135.00		NIST
I	2141.00		NIST
I	2135.00		NIST
Tboil	644.22	K	Joback Calculated Property
Tc	842.77	K	Joback Calculated Property
Tfus	379.79	K	Joback Calculated Property
Vc	0.731	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[576.73; 677.43]	J/mol×K	[644.22; 842.77]
Cp,gas	576.73	J/mol×K	644.22	Joback Calculated Property
Cp,gas	595.44	J/mol×K	677.31	Joback Calculated Property
Cp,gas	613.20	J/mol×K	710.40	Joback Calculated Property
Cp,gas	630.15	J/mol×K	743.49	Joback Calculated Property
Cp,gas	646.41	J/mol×K	776.58	Joback Calculated Property
Cp,gas	662.12	J/mol×K	809.68	Joback Calculated Property
Cp,gas	677.43	J/mol×K	842.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Copaen-4-«alpha»-ol.

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.