Chemical Properties of 3,7,11,15-Tetramethyl-1-hexadecen-3-ol (CAS 60046-87-9)

InChI

InChI=1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3

InChI Key

KEVYVLWNCKMXJX-UHFFFAOYSA-N

Formula

C20H40O

SMILES

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

Molecular Weight¹

296.53

CAS

60046-87-9

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Ionization energy 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	[903.98; 1005.31]	J/mol×K	[741.31; 916.20]
Cp,gas	903.98	J/mol×K	741.31	Joback Calculated Property
Cp,gas	923.04	J/mol×K	770.46	Joback Calculated Property
Cp,gas	941.17	J/mol×K	799.61	Joback Calculated Property
Cp,gas	958.41	J/mol×K	828.75	Joback Calculated Property
Cp,gas	974.81	J/mol×K	857.90	Joback Calculated Property
Cp,gas	990.43	J/mol×K	887.05	Joback Calculated Property
Cp,gas	1005.31	J/mol×K	916.20	Joback Calculated Property
Cp,liquid	729.50	J/mol×K	293.75	NIST
η	[0.0000137; 0.0150671]	Pa×s	[331.64; 741.31]
η	0.0150671	Pa×s	331.64	Joback Calculated Property
η	0.0017320	Pa×s	399.92	Joback Calculated Property
η	0.0003742	Pa×s	468.20	Joback Calculated Property
η	0.0001194	Pa×s	536.47	Joback Calculated Property
η	0.0000493	Pa×s	604.75	Joback Calculated Property
η	0.0000244	Pa×s	673.03	Joback Calculated Property
η	0.0000137	Pa×s	741.31	Joback Calculated Property
ΔvapH	67.00 ± 2.00	kJ/mol	453.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[487.66; 725.80]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.31485e+01
Coefficient B			-4.77767e+03
Coefficient C			-1.16172e+02
Temperature range, min.			487.66
Temperature range, max.			725.80
Pvap	1.33	kPa	487.66	Calculated Property
Pvap	3.14	kPa	514.12	Calculated Property
Pvap	6.63	kPa	540.58	Calculated Property
Pvap	12.83	kPa	567.04	Calculated Property
Pvap	23.09	kPa	593.50	Calculated Property
Pvap	39.06	kPa	619.96	Calculated Property
Pvap	62.69	kPa	646.42	Calculated Property
Pvap	96.21	kPa	672.88	Calculated Property
Pvap	142.01	kPa	699.34	Calculated Property
Pvap	202.65	kPa	725.80	Calculated Property

Similar Compounds

Find more compounds similar to 3,7,11,15-Tetramethyl-1-hexadecen-3-ol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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