Chemical Properties of «beta»-Copaene

InChI

InChI=1S/C14H22/c1-8(2)10-6-7-11-12-5-4-9(3)13(11)14(10)12/h8,10-14H,3-7H2,1-2H3/t10-,11+,12?,13?,14-/m1/s1

InChI Key

VKJUEEOKBBSEPM-XPXVYLNCSA-N

Formula

C14H22

SMILES

C=C1CCC2C3CCC(C(C)C)C2C13

Molecular Weight¹

190.32

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	272.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-81.77	kJ/mol	Joback Calculated Property
ΔfusH°	21.78	kJ/mol	Joback Calculated Property
ΔvapH°	45.82	kJ/mol	Joback Calculated Property
log10WS	-3.77		Crippen Calculated Property
logPoct/wat	3.881		Crippen Calculated Property
McVol	171.240	ml/mol	McGowan Calculated Property
Pc	2092.66	kPa	Joback Calculated Property
Inp	[1400.00; 1462.00]
Inp	1430.00		NIST
Inp	1430.00		NIST
Inp	1431.00		NIST
Inp	1430.00		NIST
Inp	1432.00		NIST
Inp	1430.00		NIST
Inp	1439.00		NIST
Inp	1426.00		NIST
Inp	1449.00		NIST
Inp	1432.00		NIST
Inp	1441.00		NIST
Inp	1426.00		NIST
Inp	1430.00		NIST
Inp	1430.00		NIST
Inp	1427.00		NIST
Inp	1432.00		NIST
Inp	1429.00		NIST
Inp	Outlier 1400.00		NIST
Inp	1432.00		NIST
Inp	1422.00		NIST
Inp	1422.00		NIST
Inp	1428.00		NIST
Inp	1432.00		NIST
Inp	1432.00		NIST
Inp	1432.00		NIST
Inp	Outlier 1462.00		NIST
Inp	1430.00		NIST
Inp	1441.00		NIST
Inp	1426.00		NIST
Inp	1429.00		NIST
Inp	1428.00		NIST
I	[1579.00; 1589.00]
I	1579.00		NIST
I	1582.00		NIST
I	1589.00		NIST
I	1579.00		NIST
Tboil	533.59	K	Joback Calculated Property
Tc	741.20	K	Joback Calculated Property
Tfus	288.04	K	Joback Calculated Property
Vc	0.658	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[450.39; 566.37]	J/mol×K	[533.59; 741.20]
Cp,gas	450.39	J/mol×K	533.59	Joback Calculated Property
Cp,gas	472.90	J/mol×K	568.19	Joback Calculated Property
Cp,gas	494.02	J/mol×K	602.79	Joback Calculated Property
Cp,gas	513.84	J/mol×K	637.40	Joback Calculated Property
Cp,gas	532.46	J/mol×K	672.00	Joback Calculated Property
Cp,gas	549.94	J/mol×K	706.60	Joback Calculated Property
Cp,gas	566.37	J/mol×K	741.20	Joback Calculated Property
η	[0.0010454; 0.0017304]	Pa×s	[288.04; 533.59]
η	0.0010454	Pa×s	288.04	Joback Calculated Property
η	0.0011979	Pa×s	328.96	Joback Calculated Property
η	0.0013320	Pa×s	369.89	Joback Calculated Property
η	0.0014501	Pa×s	410.81	Joback Calculated Property
η	0.0015546	Pa×s	451.74	Joback Calculated Property
η	0.0016474	Pa×s	492.67	Joback Calculated Property
η	0.0017304	Pa×s	533.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Copaene.

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.