Chemical Properties of 4-Undecanol (CAS 4272-06-4)

InChI

InChI=1S/C11H24O/c1-3-5-6-7-8-10-11(12)9-4-2/h11-12H,3-10H2,1-2H3

InChI Key

FNORHVDKJWGANC-UHFFFAOYSA-N

Formula

C11H24O

SMILES

CCCCCCCC(O)CCC

Molecular Weight¹

172.31

CAS

4272-06-4

Other Names

• undecan-4-ol

• ω : Acentric Factor.
• 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).
• 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).
• P_vap : Vapor pressure (kPa).
• I : 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
ω	0.7342		Relay (1.0) Calculated Property
ΔfG°	-97.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-440.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.81	kJ/mol	Joback Calculated Property
ΔvapH°	80.26	kJ/mol	Relay (1.0) Calculated Property
IE	9.69	eV	Relay (1.0) Calculated Property
log10WS	-3.59		Relay (1.0) Calculated Property
logPoct/wat	3.508		Crippen Calculated Property
McVol	171.720	ml/mol	McGowan Calculated Property
Pc	2115.83	kPa	Joback Calculated Property
I	[1648.00; 1682.00]
I	1682.00		NIST
I	1648.00		NIST
I	1651.00		NIST
I	1672.00		NIST
I	1682.00		NIST
I	1672.00		NIST
I	1648.00		NIST
Tboil	497.30	K	Relay (1.0) Calculated Property
Tc	678.82	K	Relay (1.0) Calculated Property
Tfus	280.00	K	Relay (1.0) Calculated Property
Vc	0.671	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[428.91; 506.33]	J/mol×K	[542.82; 703.49]
Cp,gas	428.91	J/mol×K	542.82	Joback Calculated Property
Cp,gas	443.16	J/mol×K	569.60	Joback Calculated Property
Cp,gas	456.84	J/mol×K	596.38	Joback Calculated Property
Cp,gas	469.99	J/mol×K	623.16	Joback Calculated Property
Cp,gas	482.61	J/mol×K	649.93	Joback Calculated Property
Cp,gas	494.72	J/mol×K	676.71	Joback Calculated Property
Cp,gas	506.33	J/mol×K	703.49	Joback Calculated Property
η	[0.0000976; 0.0500348]	Pa×s	[259.55; 542.82]
η	0.0500348	Pa×s	259.55	Joback Calculated Property
η	0.0079438	Pa×s	306.76	Joback Calculated Property
η	0.0020606	Pa×s	353.97	Joback Calculated Property
η	0.0007343	Pa×s	401.18	Joback Calculated Property
η	0.0003252	Pa×s	448.40	Joback Calculated Property
η	0.0001682	Pa×s	495.61	Joback Calculated Property
η	0.0000976	Pa×s	542.82	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[388.72; 533.35]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.60089e+01
Coefficient B			-4.84174e+03
Coefficient C			-8.07480e+01
Temperature range, min.			388.72
Temperature range, max.			533.35
Pvap	1.33	kPa	388.72	Calculated Property
Pvap	2.91	kPa	404.79	Calculated Property
Pvap	5.89	kPa	420.86	Calculated Property
Pvap	11.20	kPa	436.93	Calculated Property
Pvap	20.13	kPa	453.00	Calculated Property
Pvap	34.49	kPa	469.07	Calculated Property
Pvap	56.60	kPa	485.14	Calculated Property
Pvap	89.45	kPa	501.21	Calculated Property
Pvap	136.67	kPa	517.28	Calculated Property
Pvap	202.63	kPa	533.35	Calculated Property

Similar Compounds

Find more compounds similar to 4-Undecanol.

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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