Chemical Properties of 2,6,10-Dodecatrienal, 3,7,11-trimethyl-, (E,E)- (CAS 502-67-0)

InChI

InChI=1S/C15H24O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12H,5-6,8,10H2,1-4H3/b14-9+,15-11+

InChI Key

YHRUHBBTQZKMEX-YFVJMOTDSA-N

Formula

C15H24O

SMILES

CC(C)=CCCC(C)=CCCC(C)=CC=O

Molecular Weight¹

220.35

CAS

502-67-0

Other Names

• (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienal
• trans,trans-Farnesal
• trans,trans-2,6-Farnesal
• E,E-Farnesal
• Farnesal, trans,trans-
• 2,6-trans-trans-Farnesal
• (2E,6E)-Farnesal
• (2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienal
• 3,7,11-trimethyl-2,6,10-Dodecatrienal, (trans,trans)-
• Farnesal, (E,E)-
• trans-Farnesal
• 2,6,10-Dodecatrienal, 3,7,11-trimethyl-, (2E,6E)-
• farnesyl aldehyde
• 3,7,11-trimethyl-2,6,10-dodecatrienal (farnesal)
• Farnesal

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.4954		Relay (... Calculated Property
ΔfG°	190.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-221.40	kJ/mol	Relay (... Calculated Property
ΔfusH°	33.57	kJ/mol	Joback Calculated Property
ΔvapH°	77.28	kJ/mol	Relay (... Calculated Property
IE	8.60	eV	Relay (... Calculated Property
log10WS	-4.27		Relay (... Calculated Property
logPoct/wat	4.605		Crippen Calculated Property
McVol	210.880	ml/mol	McGowan Calculated Property
Pc	1717.45	kPa	Joback Calculated Property
Inp	[1690.00; 1745.00]
Inp	1733.00		NIST
Inp	1737.50		NIST
Inp	1735.00		NIST
Inp	1730.00		NIST
Inp	1706.00		NIST
Inp	1715.00		NIST
Inp	1714.00		NIST
Inp	1714.00		NIST
Inp	1719.00		NIST
Inp	1718.00		NIST
Inp	1738.00		NIST
Inp	Outlier 1690.00		NIST
Inp	1715.00		NIST
Inp	1714.00		NIST
Inp	1737.00		NIST
Inp	1745.00		NIST
Inp	1735.00		NIST
I	[2255.00; 2314.00]
I	2255.00		NIST
I	2264.00		NIST
I	2271.00		NIST
I	2268.00		NIST
I	2314.00		NIST
Tboil	558.57	K	Relay (... Calculated Property
Tc	740.44	K	Relay (... Calculated Property
Tfus	247.72	K	Relay (... Calculated Property
Vc	0.741	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[530.64; 619.50]	J/mol×K	[603.38; 794.15]
Cp,gas	530.64	J/mol×K	603.38	Joback Calculated Property
Cp,gas	547.51	J/mol×K	635.18	Joback Calculated Property
Cp,gas	563.47	J/mol×K	666.97	Joback Calculated Property
Cp,gas	578.59	J/mol×K	698.77	Joback Calculated Property
Cp,gas	592.93	J/mol×K	730.56	Joback Calculated Property
Cp,gas	606.55	J/mol×K	762.36	Joback Calculated Property
Cp,gas	619.50	J/mol×K	794.15	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 2,6,10-Dodecatrienal, 3,7,11-trimethyl-, (E,E)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.