Chemical Properties of 2-Undecanol (CAS 1653-30-1)

InChI

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

InChI Key

XMUJIPOFTAHSOK-UHFFFAOYSA-N

Formula

C11H24O

SMILES

CCCCCCCCCC(C)O

Molecular Weight¹

172.31

CAS

1653-30-1

Other Names

• 2-Hydroxyundecane
• Methyl nonyl carbinol
• Undecan-2-ol
• Undecylic alcohol, sec-
• sec-Undecyl Alcohol

• 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).
• 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).
• 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
ΔfG°	-97.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-427.88	kJ/mol	Joback Calculated Property
ΔfusH°	24.81	kJ/mol	Joback Calculated Property
ΔvapH°	56.37	kJ/mol	Joback Calculated Property
log10WS	[-2.94; -2.94]
log10WS	-2.94		Aq. Sol...
log10WS	-2.94		Estimat...
logPoct/wat	3.508		Crippen Calculated Property
McVol	171.720	ml/mol	McGowan Calculated Property
Pc	2115.83	kPa	Joback Calculated Property
Inp	[1270.00; 1311.00]
Inp	1287.00		NIST
Inp	1288.00		NIST
Inp	1287.00		NIST
Inp	1287.00		NIST
Inp	1294.00		NIST
Inp	1304.00		NIST
Inp	1310.00		NIST
Inp	1303.00		NIST
Inp	1288.00		NIST
Inp	1311.00		NIST
Inp	1298.00		NIST
Inp	Outlier 1270.00		NIST
Inp	1285.00		NIST
Inp	1309.00		NIST
Inp	1311.00		NIST
Inp	1307.00		NIST
Inp	1294.00		NIST
Inp	1286.00		NIST
Inp	1285.00		NIST
Inp	1286.00		NIST
I	[1704.00; 1738.00]
I	1706.00		NIST
I	1726.00		NIST
I	1723.00		NIST
I	1712.00		NIST
I	1710.00		NIST
I	1717.00		NIST
I	1706.00		NIST
I	1706.00		NIST
I	1723.00		NIST
I	1723.00		NIST
I	1726.00		NIST
I	1712.00		NIST
I	1717.00		NIST
I	1723.00		NIST
I	1724.00		NIST
I	1710.00		NIST
I	1723.00		NIST
I	1717.00		NIST
I	Outlier 1738.00		NIST
I	1705.00		NIST
I	1717.00		NIST
I	1712.00		NIST
I	1716.00		NIST
I	1704.00		NIST
I	1712.00		NIST
I	1718.00		NIST
I	1726.00		NIST
I	1722.00		NIST
I	1722.00		NIST
I	1722.00		NIST
Tboil	[501.15; 507.15]	K
Tboil	505.15 ± 5.00	K	NIST
Tboil	501.15 ± 5.00	K	NIST
Tboil	503.15 ± 5.00	K	NIST
Tboil	501.15 ± 5.00	K	NIST
Tboil	507.15 ± 5.00	K	NIST
Tboil	501.15 ± 3.00	K	NIST
Tboil	503.65 ± 4.00	K	NIST
Tboil	505.15 ± 4.00	K	NIST
Tboil	501.65 ± 4.00	K	NIST
Tc	703.49	K	Joback Calculated Property
Tfus	259.55	K	Joback Calculated Property
Vc	0.664	m3/kmol	Joback 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
ΔvapH	61.40	kJ/mol	424.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[391.92; 528.62]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.67068e+01
Coefficient B			-5.09095e+03
Coefficient C			-8.18600e+01
Temperature range, min.			391.92
Temperature range, max.			528.62
Pvap	1.33	kPa	391.92	Calculated Property
Pvap	2.87	kPa	407.11	Calculated Property
Pvap	5.77	kPa	422.30	Calculated Property
Pvap	10.93	kPa	437.49	Calculated Property
Pvap	19.64	kPa	452.68	Calculated Property
Pvap	33.72	kPa	467.86	Calculated Property
Pvap	55.55	kPa	483.05	Calculated Property
Pvap	88.25	kPa	498.24	Calculated Property
Pvap	135.71	kPa	513.43	Calculated Property
Pvap	202.66	kPa	528.62	Calculated Property

Similar Compounds

Find more compounds similar to 2-Undecanol.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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