Chemical Properties of 6-Undecanol (CAS 23708-56-7)

InChI

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

InChI Key

YBIXBBGRHOUVBB-UHFFFAOYSA-N

Formula

C11H24O

SMILES

CCCCCC(O)CCCCC

Molecular Weight¹

172.31

CAS

23708-56-7

Other Names

• Diamyl carbinol
• Undecanol-6
• undecan-6-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_np : Non-polar retention indices.
• 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	0.7343		Relay (1.0) Calculated Property
ΔfG°	-97.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-446.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.81	kJ/mol	Joback Calculated Property
ΔvapH°	79.70	kJ/mol	Relay (1.0) Calculated Property
IE	9.76	eV	Relay (1.0) Calculated Property
log10WS	-3.58		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
Inp	[1275.00; 1281.00]
Inp	1281.00		NIST
Inp	1275.00		NIST
Inp	1281.00		NIST
Inp	1281.00		NIST
Inp	1275.00		NIST
I	[1640.00; 1660.00]
I	1640.00		NIST
I	1660.00		NIST
I	1640.00		NIST
I	1640.00		NIST
I	1660.00		NIST
Tboil	[382.31; 502.00]	K
Tboil	382.31 ± 2.22	K	NIST
Tboil	502.00 ± 5.00	K	NIST
Tc	677.15	K	Relay (1.0) Calculated Property
Tfus	[289.00; 297.40]	K
Tfus	297.40 ± 2.00	K	NIST
Tfus	289.00 ± 3.00	K	NIST
Vc	0.667	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[251.02; 606.04]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.50200e+00
Coefficient B			1.08874e+00
Coefficient C			-6.08200e-04
Coefficient D			1.29000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	251.02	J/mol×K	273.00	Calculated Property
Cp,gas	311.26	J/mol×K	353.78	Calculated Property
Cp,gas	365.35	J/mol×K	434.56	Calculated Property
Cp,gas	413.70	J/mol×K	515.33	Calculated Property
Cp,gas	456.71	J/mol×K	596.11	Calculated Property
Cp,gas	494.80	J/mol×K	676.89	Calculated Property
Cp,gas	528.37	J/mol×K	757.67	Calculated Property
Cp,gas	557.82	J/mol×K	838.44	Calculated Property
Cp,gas	583.58	J/mol×K	919.22	Calculated Property
Cp,gas	606.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0126843; 0.0001747]	Pa×s	[293.20; 492.63]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.49527e+01
Coefficient B			3.10361e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			293.20
Temperature range, max.			492.63
η	0.0126843	Pa×s	293.20	Calculated Property
η	0.0060291	Pa×s	315.36	Calculated Property
η	0.0031597	Pa×s	337.52	Calculated Property
η	0.0017932	Pa×s	359.68	Calculated Property
η	0.0010868	Pa×s	381.83	Calculated Property
η	0.0006959	Pa×s	403.99	Calculated Property
η	0.0004667	Pa×s	426.15	Calculated Property
η	0.0003256	Pa×s	448.31	Calculated Property
η	0.0002350	Pa×s	470.47	Calculated Property
η	0.0001747	Pa×s	492.63	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[387.92; 528.61]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.62898e+01
Coefficient B			-4.91989e+03
Coefficient C			-8.04700e+01
Temperature range, min.			387.92
Temperature range, max.			528.61
Pvap	1.33	kPa	387.92	Calculated Property
Pvap	2.89	kPa	403.55	Calculated Property
Pvap	5.84	kPa	419.18	Calculated Property
Pvap	11.08	kPa	434.82	Calculated Property
Pvap	19.93	kPa	450.45	Calculated Property
Pvap	34.16	kPa	466.08	Calculated Property
Pvap	56.16	kPa	481.71	Calculated Property
Pvap	88.94	kPa	497.35	Calculated Property
Pvap	136.26	kPa	512.98	Calculated Property
Pvap	202.62	kPa	528.61	Calculated Property

Similar Compounds

Find more compounds similar to 6-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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