Chemical Properties of «alpha»-Acoradiene

InChI

InChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h6-7,9,11-13H,5,8,10H2,1-4H3/t12?,13-,15?/m1/s1

InChI Key

XTISJFXWBIASHF-JVWICGRDSA-N

Formula

C15H24

SMILES

CC1C=CC2(CC1)C(C(C)C)=CCC2C

Molecular Weight¹

204.35

• 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°	183.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-138.26	kJ/mol	Joback Calculated Property
ΔfusH°	15.78	kJ/mol	Joback Calculated Property
ΔvapH°	48.90	kJ/mol	Joback Calculated Property
log10WS	-4.63		Crippen Calculated Property
logPoct/wat	4.581		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Pc	2027.23	kPa	Joback Calculated Property
Inp	[1438.00; 1475.00]
Inp	1456.00		NIST
Inp	1465.00		NIST
Inp	1463.00		NIST
Inp	1461.00		NIST
Inp	1463.00		NIST
Inp	1461.00		NIST
Inp	1469.00		NIST
Inp	1446.00		NIST
Inp	Outlier 1438.00		NIST
Inp	1471.00		NIST
Inp	1463.00		NIST
Inp	1456.00		NIST
Inp	1445.00		NIST
Inp	1467.00		NIST
Inp	1461.00		NIST
Inp	1463.00		NIST
Inp	1471.00		NIST
Inp	1455.00		NIST
Inp	1475.00		NIST
Inp	1463.00		NIST
Inp	1463.00		NIST
I	[1680.00; 1690.00]
I	1690.00		NIST
I	1690.00		NIST
I	1690.00		NIST
I	1690.00		NIST
I	1690.00		NIST
I	1690.00		NIST
I	1690.00		NIST
I	1680.00		NIST
I	1690.00		NIST
I	1680.00		NIST
Tboil	571.59	K	Joback Calculated Property
Tc	794.61	K	Joback Calculated Property
Tfus	299.31	K	Joback Calculated Property
Vc	0.721	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[501.14; 620.81]	J/mol×K	[571.59; 794.61]
Cp,gas	501.14	J/mol×K	571.59	Joback Calculated Property
Cp,gas	524.19	J/mol×K	608.76	Joback Calculated Property
Cp,gas	545.79	J/mol×K	645.93	Joback Calculated Property
Cp,gas	566.10	J/mol×K	683.10	Joback Calculated Property
Cp,gas	585.27	J/mol×K	720.27	Joback Calculated Property
Cp,gas	603.45	J/mol×K	757.44	Joback Calculated Property
Cp,gas	620.81	J/mol×K	794.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-Acoradiene.

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.