Chemical Properties of 1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene- (CAS 77129-48-7)

InChI

InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+

InChI Key

JSNRRGGBADWTMC-NTCAYCPXSA-N

Formula

C15H24

SMILES

C=CC(=C)CCC=C(C)CCC=C(C)C

Molecular Weight¹

204.35

CAS

77129-48-7

Other Names

• 7,11-Dimethyl-3-methylene-1,6,10-dodecatriene
• «beta»-Farnesene
• 7,11-dimethyl-3-methylenedodeca-1,6,10-triene

• 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°	385.89	kJ/mol	Joback Calculated Property
ΔfH°gas	103.00	kJ/mol	Joback Calculated Property
ΔfusH°	28.52	kJ/mol	Joback Calculated Property
ΔvapH°	47.80	kJ/mol	Joback Calculated Property
log10WS	-5.52		Crippen Calculated Property
logPoct/wat	5.202		Crippen Calculated Property
McVol	205.010	ml/mol	McGowan Calculated Property
Pc	1659.19	kPa	Joback Calculated Property
Inp	[1420.00; 1500.00]
Inp	1449.50		NIST
Inp	1433.00		NIST
Inp	1433.50		NIST
Inp	1458.00		NIST
Inp	1450.80		NIST
Inp	Outlier 1493.00		NIST
Inp	1458.00		NIST
Inp	1461.00		NIST
Inp	1462.00		NIST
Inp	1441.00		NIST
Inp	1449.00		NIST
Inp	1432.00		NIST
Inp	1458.00		NIST
Inp	Outlier 1420.00		NIST
Inp	1459.00		NIST
Inp	1452.00		NIST
Inp	1455.00		NIST
Inp	1439.00		NIST
Inp	1454.00		NIST
Inp	1460.00		NIST
Inp	1458.00		NIST
Inp	1446.00		NIST
Inp	1443.00		NIST
Inp	1449.00		NIST
Inp	1449.00		NIST
Inp	Outlier 1500.00		NIST
Inp	1458.00		NIST
Inp	1457.00		NIST
Inp	1436.00		NIST
Inp	1439.00		NIST
Inp	1459.00		NIST
Inp	1459.00		NIST
Inp	1460.00		NIST
Inp	1444.00		NIST
Inp	1448.00		NIST
Inp	1450.00		NIST
Inp	1464.00		NIST
Inp	1457.00		NIST
Inp	Outlier 1422.00		NIST
Inp	1450.00		NIST
Inp	1460.00		NIST
Inp	1458.00		NIST
Inp	1446.00		NIST
Inp	1445.00		NIST
Inp	1449.00		NIST
Inp	1449.00		NIST
Inp	1447.00		NIST
Inp	1444.00		NIST
Inp	1458.00		NIST
Inp	1458.00		NIST
Inp	1450.00		NIST
Inp	Outlier 1484.00		NIST
Inp	1455.00		NIST
Inp	1458.00		NIST
Inp	1437.00		NIST
Inp	1466.00		NIST
Inp	1472.00		NIST
Inp	1447.00		NIST
Inp	1448.00		NIST
Inp	1449.00		NIST
Inp	1448.00		NIST
Inp	1449.00		NIST
Inp	1446.00		NIST
Inp	1448.00		NIST
Inp	1446.00		NIST
Inp	1447.00		NIST
Inp	1450.00		NIST
Inp	1451.00		NIST
Inp	1445.00		NIST
Inp	1461.00		NIST
Inp	1456.00		NIST
Inp	1457.00		NIST
Inp	1444.00		NIST
Inp	1460.00		NIST
Inp	1455.00		NIST
Inp	1458.00		NIST
Inp	1434.00		NIST
Inp	1458.00		NIST
Inp	1435.00		NIST
Inp	1460.00		NIST
Inp	1458.00		NIST
Inp	1443.00		NIST
Inp	1476.00		NIST
Inp	1476.00		NIST
Inp	1448.00		NIST
Inp	1449.00		NIST
Inp	1448.00		NIST
Inp	1450.00		NIST
Inp	1462.00		NIST
Inp	1462.00		NIST
Inp	1449.00		NIST
Inp	1446.00		NIST
Inp	1459.00		NIST
Inp	1450.00		NIST
Inp	1460.00		NIST
Inp	1449.00		NIST
Inp	1466.00		NIST
Inp	1448.00		NIST
Inp	1447.00		NIST
I	[1627.00; 1699.00]
I	1669.50		NIST
I	1669.50		NIST
I	1670.00		NIST
I	1668.00		NIST
I	1657.00		NIST
I	1650.00		NIST
I	1669.00		NIST
I	1646.00		NIST
I	1668.00		NIST
I	1664.00		NIST
I	1648.00		NIST
I	1673.00		NIST
I	1675.00		NIST
I	1667.00		NIST
I	1670.00		NIST
I	1680.00		NIST
I	1641.00		NIST
I	1665.00		NIST
I	1663.00		NIST
I	1662.00		NIST
I	Outlier 1695.00		NIST
I	1668.00		NIST
I	1655.00		NIST
I	1650.00		NIST
I	1666.00		NIST
I	1664.00		NIST
I	1660.00		NIST
I	Outlier 1699.00		NIST
I	1672.00		NIST
I	Outlier 1627.00		NIST
I	1650.00		NIST
I	1674.00		NIST
I	Outlier 1630.00		NIST
Tboil	543.92	K	Joback Calculated Property
Tc	730.22	K	Joback Calculated Property
Tfus	203.25	K	Joback Calculated Property
Vc	0.800	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[481.95; 576.82]	J/mol×K	[543.92; 730.22]
Cp,gas	481.95	J/mol×K	543.92	Joback Calculated Property
Cp,gas	499.95	J/mol×K	574.97	Joback Calculated Property
Cp,gas	517.00	J/mol×K	606.02	Joback Calculated Property
Cp,gas	533.16	J/mol×K	637.07	Joback Calculated Property
Cp,gas	548.48	J/mol×K	668.12	Joback Calculated Property
Cp,gas	563.01	J/mol×K	699.17	Joback Calculated Property
Cp,gas	576.82	J/mol×K	730.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-.

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.