Chemical Properties of «beta»-Guaiene (CAS 88-84-6)

InChI

InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-12H,5-9H2,1-4H3/t11-,12-/m1/s1

InChI Key

GIBQERSGRNPMEH-VXGBXAGGSA-N

Formula

C15H24

SMILES

CC(C)=C1CCC(C)C2=C(C1)C(C)CC2

Molecular Weight¹

204.35

CAS

88-84-6

Other Names

• Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethylidene)-, (1S-cis)-
• Guaia-1(5),7(11)-diene
• Guaiene
• 1,2,3,4,5,6,7,8-Octahydro-1,4-dimethyl-7-(1-methylethylidene)-azulene
• 1,4-Dimethyl-7-(1-methylethylidene)-1,2,3,4,5,6,7,8-octahydroazulene, (1S,cis)-
• «beta»-cis-Guaiene
• beta-Guaiene
• cis-«beta»-Guaiene
• «beta»-guainene
• cis-«beta»-Guainene
• (1S-cis)-1,2,3,4,5,6,7,8-octahydro-7-isopropylidene-1,4-dimethylazulene

• 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°	196.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-130.89	kJ/mol	Joback Calculated Property
ΔfusH°	21.93	kJ/mol	Joback Calculated Property
ΔvapH°	51.98	kJ/mol	Joback Calculated Property
log10WS	-5.11		Crippen Calculated Property
logPoct/wat	4.869		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Pc	1961.34	kPa	Joback Calculated Property
Inp	[1447.00; 1533.00]
Inp	1504.00		NIST
Inp	1488.00		NIST
Inp	1490.00		NIST
Inp	1491.00		NIST
Inp	1473.00		NIST
Inp	Outlier 1533.00		NIST
Inp	1484.00		NIST
Inp	1473.00		NIST
Inp	1490.00		NIST
Inp	Outlier 1533.00		NIST
Inp	1489.00		NIST
Inp	1490.00		NIST
Inp	1469.00		NIST
Inp	1491.00		NIST
Inp	1479.00		NIST
Inp	1482.00		NIST
Inp	1493.00		NIST
Inp	1492.00		NIST
Inp	1483.00		NIST
Inp	1490.00		NIST
Inp	1495.00		NIST
Inp	1490.00		NIST
Inp	1482.00		NIST
Inp	1490.00		NIST
Inp	1499.00		NIST
Inp	1500.00		NIST
Inp	1483.00		NIST
Inp	1482.00		NIST
Inp	1487.00		NIST
Inp	1491.00		NIST
Inp	1491.00		NIST
Inp	1462.00		NIST
Inp	1482.00		NIST
Inp	1494.00		NIST
Inp	Outlier 1447.00		NIST
Inp	1495.00		NIST
Inp	1486.00		NIST
Inp	1491.00		NIST
Inp	Outlier 1447.00		NIST
Inp	1481.00		NIST
Inp	1494.00		NIST
Inp	1492.00		NIST
Inp	1493.00		NIST
Inp	1492.00		NIST
Inp	1487.00		NIST
Inp	1493.00		NIST
Inp	1490.00		NIST
Inp	Outlier 1522.00		NIST
Inp	1485.00		NIST
Inp	1492.00		NIST
Inp	1462.00		NIST
Inp	1500.00		NIST
Inp	1493.00		NIST
Inp	1488.00		NIST
Inp	1487.00		NIST
Inp	1490.00		NIST
Inp	1491.00		NIST
Inp	1490.00		NIST
Inp	1487.00		NIST
Inp	1488.00		NIST
Inp	Outlier 1529.00		NIST
Inp	1491.00		NIST
Inp	1481.00		NIST
Inp	1467.00		NIST
Inp	Outlier 1458.00		NIST
Inp	1491.00		NIST
Inp	1480.00		NIST
Inp	1483.00		NIST
Inp	1489.00		NIST
Inp	1490.00		NIST
Inp	1492.00		NIST
Inp	1486.00		NIST
Inp	1513.00		NIST
Inp	1462.00		NIST
Inp	1475.00		NIST
Inp	1500.00		NIST
Inp	1478.00		NIST
Inp	1465.00		NIST
Inp	Outlier 1451.00		NIST
Inp	Outlier 1451.00		NIST
Inp	1482.00		NIST
Inp	1482.00		NIST
Inp	1495.00		NIST
Inp	1490.00		NIST
Inp	1483.00		NIST
Inp	1490.00		NIST
Inp	1478.00		NIST
Inp	1491.00		NIST
Inp	1493.00		NIST
Inp	1491.00		NIST
Inp	1488.00		NIST
Inp	1478.00		NIST
Inp	1490.00		NIST
Inp	1490.00		NIST
Inp	1504.00		NIST
Inp	1482.00		NIST
Inp	1476.00		NIST
Inp	1494.00		NIST
Inp	1495.00		NIST
Inp	1491.00		NIST
Inp	1490.00		NIST
I	[1648.00; 1720.00]
I	1684.00		NIST
I	1691.00		NIST
I	1702.00		NIST
I	1689.00		NIST
I	1651.00		NIST
I	1648.00		NIST
I	1667.00		NIST
I	1673.00		NIST
I	1671.00		NIST
I	1651.00		NIST
I	1663.00		NIST
I	1667.00		NIST
I	1667.00		NIST
I	1684.00		NIST
I	Outlier 1720.00		NIST
Tboil	588.80	K	Joback Calculated Property
Tc	808.19	K	Joback Calculated Property
Tfus	302.81	K	Joback Calculated Property
Vc	0.728	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[503.31; 618.07]	J/mol×K	[588.80; 808.19]
Cp,gas	503.31	J/mol×K	588.80	Joback Calculated Property
Cp,gas	525.51	J/mol×K	625.37	Joback Calculated Property
Cp,gas	546.40	J/mol×K	661.93	Joback Calculated Property
Cp,gas	566.04	J/mol×K	698.50	Joback Calculated Property
Cp,gas	584.49	J/mol×K	735.06	Joback Calculated Property
Cp,gas	601.81	J/mol×K	771.63	Joback Calculated Property
Cp,gas	618.07	J/mol×K	808.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Guaiene.

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.