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_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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-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°	34.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-321.00	kJ/mol	Joback Calculated Property
ΔfusH°	26.15	kJ/mol	Joback Calculated Property
ΔvapH°	52.74	kJ/mol	Joback Calculated Property
log10WS	-4.33		Crippen Calculated Property
logPoct/wat	4.374		Crippen Calculated Property
McVol	205.390	ml/mol	McGowan Calculated Property
Pc	1714.61	kPa	Joback Calculated Property
Inp	[1387.00; 1445.00]
Inp	1387.00		NIST
Inp	1445.00		NIST
Inp	1387.00		NIST
Tboil	571.54	K	Joback Calculated Property
Tc	751.07	K	Joback Calculated Property
Tfus	240.50	K	Joback Calculated Property
Vc	0.805	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[518.92; 611.76]	J/mol×K	[571.54; 751.07]
Cp,gas	518.92	J/mol×K	571.54	Joback Calculated Property
Cp,gas	536.34	J/mol×K	601.46	Joback Calculated Property
Cp,gas	552.94	J/mol×K	631.38	Joback Calculated Property
Cp,gas	568.75	J/mol×K	661.30	Joback Calculated Property
Cp,gas	583.80	J/mol×K	691.23	Joback Calculated Property
Cp,gas	598.13	J/mol×K	721.15	Joback Calculated Property
Cp,gas	611.76	J/mol×K	751.07	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[417.92; 612.84]	The Yaw...
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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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