Chemical Properties of «beta»-Copaene (CAS 18252-44-3)

InChI

InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12?,13?,14+,15+/m1/s1

InChI Key

UPVZPMJSRSWJHQ-UWMJVVDFSA-N

Formula

C15H24

SMILES

C=C1CCC2C3C(C(C)C)CCC2(C)C13

Molecular Weight¹

204.35

CAS

18252-44-3

Other Names

• Tricyclo[4.4.0.0(2,7)]decane, 1-methyl-3-methylene-8-(1-methylethyl)-, stereoisomer

• 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°	275.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-87.17	kJ/mol	Joback Calculated Property
ΔfusH°	18.07	kJ/mol	Joback Calculated Property
ΔvapH°	46.90	kJ/mol	Joback Calculated Property
log10WS	-4.19		Crippen Calculated Property
logPoct/wat	4.271		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Pc	1998.33	kPa	Joback Calculated Property
Inp	[1388.00; 1473.00]
Inp	1422.50		NIST
Inp	1430.00		NIST
Inp	1437.00		NIST
Inp	1428.00		NIST
Inp	1432.00		NIST
Inp	1433.00		NIST
Inp	1430.00		NIST
Inp	1428.00		NIST
Inp	1437.00		NIST
Inp	1428.00		NIST
Inp	1428.00		NIST
Inp	Outlier 1402.00		NIST
Inp	1447.10		NIST
Inp	Outlier 1460.00		NIST
Inp	1428.00		NIST
Inp	1444.00		NIST
Inp	1426.00		NIST
Inp	1418.00		NIST
Inp	1428.00		NIST
Inp	1421.00		NIST
Inp	1420.00		NIST
Inp	1430.00		NIST
Inp	1432.00		NIST
Inp	1432.00		NIST
Inp	1431.00		NIST
Inp	1426.00		NIST
Inp	1422.00		NIST
Inp	1430.00		NIST
Inp	1432.00		NIST
Inp	1427.00		NIST
Inp	1444.00		NIST
Inp	1446.00		NIST
Inp	1445.00		NIST
Inp	1436.90		NIST
Inp	1450.00		NIST
Inp	1432.00		NIST
Inp	1433.00		NIST
Inp	1432.00		NIST
Inp	1422.00		NIST
Inp	1422.00		NIST
Inp	1422.00		NIST
Inp	1437.00		NIST
Inp	1425.00		NIST
Inp	1430.00		NIST
Inp	1424.00		NIST
Inp	1435.00		NIST
Inp	1432.00		NIST
Inp	1424.00		NIST
Inp	1426.00		NIST
Inp	1433.00		NIST
Inp	1422.00		NIST
Inp	1435.00		NIST
Inp	1426.00		NIST
Inp	1448.00		NIST
Inp	1429.00		NIST
Inp	1430.00		NIST
Inp	1427.00		NIST
Inp	1435.00		NIST
Inp	1434.00		NIST
Inp	1437.00		NIST
Inp	1426.00		NIST
Inp	Outlier 1388.00		NIST
Inp	Outlier 1400.00		NIST
Inp	1446.00		NIST
Inp	1429.00		NIST
Inp	1429.00		NIST
Inp	1428.00		NIST
Inp	1427.00		NIST
Inp	1428.00		NIST
Inp	1437.00		NIST
Inp	1430.00		NIST
Inp	1422.00		NIST
Inp	1440.00		NIST
Inp	1432.00		NIST
Inp	1408.00		NIST
Inp	1412.00		NIST
Inp	1408.00		NIST
Inp	1432.00		NIST
Inp	1414.00		NIST
Inp	1424.00		NIST
Inp	1416.00		NIST
Inp	1430.00		NIST
Inp	Outlier 1390.00		NIST
Inp	1432.00		NIST
Inp	Outlier 1402.00		NIST
Inp	1431.00		NIST
Inp	1438.00		NIST
Inp	1442.00		NIST
Inp	1433.00		NIST
Inp	1424.00		NIST
Inp	1423.00		NIST
Inp	1418.00		NIST
Inp	1418.00		NIST
Inp	1432.00		NIST
Inp	1421.00		NIST
Inp	1426.00		NIST
Inp	1431.00		NIST
Inp	1432.00		NIST
Inp	1426.00		NIST
Inp	Outlier 1473.00		NIST
Inp	1431.00		NIST
Inp	1432.00		NIST
Inp	1432.00		NIST
Inp	Outlier 1459.00		NIST
Inp	1432.00		NIST
Inp	1432.00		NIST
Inp	1432.00		NIST
Inp	1428.00		NIST
Inp	1430.00		NIST
Inp	1432.00		NIST
Inp	1432.00		NIST
Inp	1445.00		NIST
Inp	1435.00		NIST
Inp	1418.00		NIST
Inp	1445.00		NIST
Inp	1446.00		NIST
Inp	1424.00		NIST
Inp	1445.00		NIST
Inp	Outlier 1460.00		NIST
I	[1542.00; 1631.00]
I	1585.00		NIST
I	1580.00		NIST
I	1565.00		NIST
I	1585.00		NIST
I	1580.00		NIST
I	1585.00		NIST
I	1581.00		NIST
I	Outlier 1631.00		NIST
I	Outlier 1631.00		NIST
I	1565.00		NIST
I	1585.00		NIST
I	1585.00		NIST
I	1587.00		NIST
I	1589.00		NIST
I	1562.00		NIST
I	1587.00		NIST
I	1580.00		NIST
I	Outlier 1542.00		NIST
I	1628.00		NIST
I	1552.00		NIST
I	1588.00		NIST
I	1567.00		NIST
I	1567.00		NIST
I	1550.00		NIST
I	1597.00		NIST
I	1597.00		NIST
I	1597.00		NIST
I	1603.00		NIST
I	1595.00		NIST
I	1597.00		NIST
I	1597.00		NIST
I	1597.00		NIST
I	1626.00		NIST
I	1567.00		NIST
I	1590.00		NIST
I	1626.00		NIST
I	1585.00		NIST
Tboil	556.71	K	Joback Calculated Property
Tc	769.30	K	Joback Calculated Property
Tfus	323.21	K	Joback Calculated Property
Vc	0.713	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[501.63; 619.46]	J/mol×K	[556.71; 769.30]
Cp,gas	501.63	J/mol×K	556.71	Joback Calculated Property
Cp,gas	524.39	J/mol×K	592.14	Joback Calculated Property
Cp,gas	545.67	J/mol×K	627.57	Joback Calculated Property
Cp,gas	565.65	J/mol×K	663.00	Joback Calculated Property
Cp,gas	584.49	J/mol×K	698.44	Joback Calculated Property
Cp,gas	602.37	J/mol×K	733.87	Joback Calculated Property
Cp,gas	619.46	J/mol×K	769.30	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.