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

• 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	0.7385		Relay (1.0) Calculated Property
ΔfG°	-97.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-443.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.81	kJ/mol	Joback Calculated Property
ΔvapH°	82.41	kJ/mol	Relay (1.0) Calculated Property
IE	9.73	eV	Relay (1.0) Calculated Property
log10WS	-3.66		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	[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	1665.00		NIST
I	1673.00		NIST
I	1700.00		NIST
Tboil	502.15 ± 4.00	K	NIST
Tc	682.98	K	Relay (1.0) Calculated Property
Tfus	276.98	K	Relay (1.0) Calculated Property
Vc	0.674	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	[0.0500348; 0.0001747]	Pa×s	[259.55; 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.			259.55
Temperature range, max.			492.63
η	0.0500348	Pa×s	259.55	Calculated Property
η	0.0169092	Pa×s	285.45	Calculated Property
η	0.0068446	Pa×s	311.34	Calculated Property
η	0.0031835	Pa×s	337.24	Calculated Property
η	0.0016515	Pa×s	363.14	Calculated Property
η	0.0009350	Pa×s	389.04	Calculated Property
η	0.0005683	Pa×s	414.93	Calculated Property
η	0.0003662	Pa×s	440.83	Calculated Property
η	0.0002478	Pa×s	466.73	Calculated Property
η	0.0001747	Pa×s	492.63	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[388.72; 533.35]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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

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

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