Chemical Properties of 9-Undecenal, 2,6,10-trimethyl- (CAS 141-13-9)

InChI

InChI=1S/C14H26O/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h7,11,13-14H,5-6,8-10H2,1-4H3

InChI Key

UEGBWDUVDAKUGA-UHFFFAOYSA-N

Formula

C14H26O

SMILES

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

Molecular Weight¹

210.36

CAS

141-13-9

Other Names

• 2,6,10-Trimethyl-9-undecen-1-al
• 2,6,10-Trimethyl-9-undecenal
• 2,6,10-trimethylundec-9-enal
• Adoxal

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	26.15	kJ/mol	Joback Calculated Property
ΔvapH°	70.85	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.374		Crippen Calculated Property
McVol	205.390	ml/mol	McGowan Calculated Property
Inp	[1387.00; 1445.00]
Inp	1387.00		NIST
Inp	1445.00		NIST
Inp	1387.00		NIST
Tboil	529.51	K	Relay (1.0) Calculated Property
Tfus	239.78	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[519.04; 611.88]	J/mol×K	[571.74; 751.33]
Cp,gas	519.04	J/mol×K	571.74	Joback Calculated Property
Cp,gas	536.46	J/mol×K	601.67	Joback Calculated Property
Cp,gas	553.06	J/mol×K	631.60	Joback Calculated Property
Cp,gas	568.87	J/mol×K	661.54	Joback Calculated Property
Cp,gas	583.92	J/mol×K	691.47	Joback Calculated Property
Cp,gas	598.25	J/mol×K	721.40	Joback Calculated Property
Cp,gas	611.88	J/mol×K	751.33	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[417.92; 612.84]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.36509e+01
Coefficient B			-4.32368e+03
Coefficient C			-9.43700e+01
Temperature range, min.			417.92
Temperature range, max.			612.84
Pvap	1.33	kPa	417.92	Calculated Property
Pvap	3.08	kPa	439.58	Calculated Property
Pvap	6.46	kPa	461.24	Calculated Property
Pvap	12.46	kPa	482.89	Calculated Property
Pvap	22.42	kPa	504.55	Calculated Property
Pvap	38.04	kPa	526.21	Calculated Property
Pvap	61.36	kPa	547.87	Calculated Property
Pvap	94.76	kPa	569.52	Calculated Property
Pvap	140.89	kPa	591.18	Calculated Property
Pvap	202.66	kPa	612.84	Calculated Property

Similar Compounds

Find more compounds similar to 9-Undecenal, 2,6,10-trimethyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.
These property values are available through the Cheméo API. A free account gives you an access key.