Chemical Properties of Undecanol-3 (CAS 6929-08-4)

InChI

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

InChI Key

HCARCYFXWDRVBZ-UHFFFAOYSA-N

Formula

C11H24O

SMILES

CCCCCCCCC(O)CC

Molecular Weight¹

172.31

CAS

6929-08-4

Other Names

• 3-Undecanol
• Undecan-3-ol

• 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).
• 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	-3.80		Crippen 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	[1308.00; 1400.00]
Inp	1308.00		NIST
Inp	1400.00		NIST
Inp	1400.00		NIST
Inp	1308.00		NIST
I	[1665.00; 1700.00]
I	1665.00		NIST
I	1673.00		NIST
I	1700.00		NIST
I	1665.00		NIST
Tboil	502.15 ± 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[388.72; 533.35]	The Yaw...
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 Undecanol-3.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.