Chemical Properties of 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl- (CAS 4602-84-0)

InChI

InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+

InChI Key

CRDAMVZIKSXKFV-YFVJMOTDSA-N

Formula

C15H26O

SMILES

CC(C)=CCCC(C)=CCCC(C)=CCO

Molecular Weight¹

222.37

CAS

4602-84-0

Other Names

• (2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol
• 3,7,11,-Trimethyldodeca-2,6,10-trien-1-ol
• 3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol (farnesol)
• 3,7,11-Trimethyl-2,6,10-dodecatrienol
• 3,7,11-trimethyl-2,6,10-dodecatrien-1-ol
• 3,7,11-trimethyldodeca-2,6,10-trien-1-ol
• FCI 119a
• Farnesyl alcohol
• NSC 60597
• Stirrup-A/WF
• Stirrup-CRW
• Stirrup-H
• Stirrup-HB
• Stirrup-TPW
• Trimethyl-2,6,10-dodecatriene-1-ol
• farnesol
• «alpha»-farnesol

• 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_boilr : Boiling point at reduced pressure (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°	153.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-182.87	kJ/mol	Joback Calculated Property
ΔfusH°	35.37	kJ/mol	Joback Calculated Property
ΔvapH°	65.78	kJ/mol	Joback Calculated Property
log10WS	-4.93		Crippen Calculated Property
logPoct/wat	4.398		Crippen Calculated Property
McVol	215.180	ml/mol	McGowan Calculated Property
Pc	1743.37	kPa	Joback Calculated Property
Inp	[1652.00; 1749.00]
Inp	1678.70		NIST
Inp	1703.50		NIST
Inp	1682.50		NIST
Inp	1655.00		NIST
Inp	1711.00		NIST
Inp	1713.00		NIST
Inp	1695.00		NIST
Inp	1722.00		NIST
Inp	1658.00		NIST
Inp	1740.00		NIST
Inp	1695.00		NIST
Inp	1728.00		NIST
Inp	1712.00		NIST
Inp	1693.00		NIST
Inp	1724.10		NIST
Inp	1721.00		NIST
Inp	1707.00		NIST
Inp	1722.00		NIST
Inp	1702.00		NIST
Inp	1701.00		NIST
Inp	1702.00		NIST
Inp	1704.00		NIST
Inp	1704.00		NIST
Inp	1706.00		NIST
Inp	1749.00		NIST
Inp	1716.00		NIST
Inp	1713.00		NIST
Inp	1690.00		NIST
Inp	1699.00		NIST
Inp	1664.00		NIST
Inp	1699.00		NIST
Inp	1653.00		NIST
Inp	1710.00		NIST
Inp	1711.00		NIST
Inp	1673.00		NIST
Inp	1745.00		NIST
Inp	1661.00		NIST
Inp	1667.00		NIST
Inp	1660.00		NIST
Inp	1667.00		NIST
Inp	1653.00		NIST
Inp	1700.00		NIST
Inp	1653.00		NIST
Inp	1682.00		NIST
Inp	1725.00		NIST
Inp	1652.00		NIST
Inp	1740.00		NIST
Inp	1747.00		NIST
Inp	1699.00		NIST
Inp	1654.00		NIST
Inp	1680.00		NIST
Inp	1664.00		NIST
Inp	1676.00		NIST
Inp	1698.00		NIST
Inp	1698.00		NIST
Inp	1698.00		NIST
Inp	1740.00		NIST
Inp	1710.00		NIST
Inp	1698.00		NIST
Inp	1682.00		NIST
Inp	1721.00		NIST
Inp	1747.00		NIST
Inp	1746.00		NIST
Inp	1711.00		NIST
Inp	1658.00		NIST
Inp	1693.00		NIST
Inp	1740.00		NIST
Inp	1747.00		NIST
I	[2318.00; 2387.00]
I	2378.00		NIST
I	2354.00		NIST
I	2351.00		NIST
I	2352.00		NIST
I	2372.00		NIST
I	2352.00		NIST
I	2350.00		NIST
I	2364.00		NIST
I	2351.00		NIST
I	2356.00		NIST
I	2345.00		NIST
I	2387.00		NIST
I	2382.00		NIST
I	2347.00		NIST
I	2348.00		NIST
I	2321.00		NIST
I	2361.00		NIST
I	2323.00		NIST
I	2337.00		NIST
I	2366.00		NIST
I	2350.00		NIST
I	2356.00		NIST
I	2350.00		NIST
I	2340.00		NIST
I	2350.00		NIST
I	2337.00		NIST
I	Outlier 2318.00		NIST
I	2346.00		NIST
I	2364.00		NIST
I	2382.00		NIST
I	2323.00		NIST
I	2378.00		NIST
I	2352.00		NIST
Tboil	646.90	K	Joback Calculated Property
Tc	826.12	K	Joback Calculated Property
Tfus	262.51	K	Joback Calculated Property
Vc	0.838	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[573.45; 656.14]	J/mol×K	[646.90; 826.12]
Cp,gas	573.45	J/mol×K	646.90	Joback Calculated Property
Cp,gas	588.94	J/mol×K	676.77	Joback Calculated Property
Cp,gas	603.68	J/mol×K	706.64	Joback Calculated Property
Cp,gas	617.71	J/mol×K	736.51	Joback Calculated Property
Cp,gas	631.10	J/mol×K	766.38	Joback Calculated Property
Cp,gas	643.89	J/mol×K	796.25	Joback Calculated Property
Cp,gas	656.14	J/mol×K	826.12	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-.

Mixtures

• 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl- + Carbon dioxide

Sources

• Crippen Method
• Crippen Method
• Solubilities in Supercritical Carbon Dioxide of (2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trien-1-ol (Farnesol) and (2S)-5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one (Naringenin)
• 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.