Chemical Properties of 4-Nonanol, 2,6,8-trimethyl- (CAS 123-17-1)

InChI

InChI=1S/C12H26O/c1-9(2)6-11(5)8-12(13)7-10(3)4/h9-13H,6-8H2,1-5H3

InChI Key

LFEHSRSSAGQWNI-UHFFFAOYSA-N

Formula

C12H26O

SMILES

CC(C)CC(C)CC(O)CC(C)C

Molecular Weight¹

186.33

CAS

123-17-1

Other Names

• 2,4,8-Trimethyl-6-nonanol
• 2,6,8-Trimethyl-4-nonanol
• 2,6,8-Trimethylnonanol-4
• 2,6,8-trimethylnonan-4-ol
• 4-Hydroxy-2,6,8-trimethylnonane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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°	-96.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-464.36	kJ/mol	Joback Calculated Property
ΔfusH°	16.83	kJ/mol	Joback Calculated Property
ΔvapH°	57.43	kJ/mol	Joback Calculated Property
log10WS	-3.50		Crippen Calculated Property
logPoct/wat	3.466		Crippen Calculated Property
McVol	185.810	ml/mol	McGowan Calculated Property
Pc	1982.35	kPa	Joback Calculated Property
Tboil	[498.55; 498.65]	K
Tboil	498.55	K	NIST
Tboil	498.65	K	NIST
Tc	732.65	K	Joback Calculated Property
Tfus	225.82	K	Joback Calculated Property
Vc	0.703	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[479.59; 564.82]	J/mol×K	[564.38; 732.65]
Cp,gas	479.59	J/mol×K	564.38	Joback Calculated Property
Cp,gas	495.41	J/mol×K	592.43	Joback Calculated Property
Cp,gas	510.55	J/mol×K	620.47	Joback Calculated Property
Cp,gas	525.05	J/mol×K	648.52	Joback Calculated Property
Cp,gas	538.91	J/mol×K	676.56	Joback Calculated Property
Cp,gas	552.17	J/mol×K	704.61	Joback Calculated Property
Cp,gas	564.82	J/mol×K	732.65	Joback Calculated Property
η	[0.0000672; 0.4438389]	Pa×s	[225.82; 564.38]
η	0.4438389	Pa×s	225.82	Joback Calculated Property
η	0.0236653	Pa×s	282.25	Joback Calculated Property
η	0.0033514	Pa×s	338.67	Joback Calculated Property
η	0.0008295	Pa×s	395.10	Joback Calculated Property
η	0.0002910	Pa×s	451.53	Joback Calculated Property
η	0.0001289	Pa×s	507.95	Joback Calculated Property
η	0.0000672	Pa×s	564.38	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[385.72; 524.29]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.64058e+01
Coefficient B			-4.93242e+03
Coefficient C			-7.97050e+01
Temperature range, min.			385.72
Temperature range, max.			524.29
Pvap	1.33	kPa	385.72	Calculated Property
Pvap	2.89	kPa	401.12	Calculated Property
Pvap	5.82	kPa	416.51	Calculated Property
Pvap	11.04	kPa	431.91	Calculated Property
Pvap	19.85	kPa	447.31	Calculated Property
Pvap	34.04	kPa	462.70	Calculated Property
Pvap	55.99	kPa	478.10	Calculated Property
Pvap	88.75	kPa	493.50	Calculated Property
Pvap	136.10	kPa	508.89	Calculated Property
Pvap	202.63	kPa	524.29	Calculated Property

Similar Compounds

Find more compounds similar to 4-Nonanol, 2,6,8-trimethyl-.

Sources

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

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