Chemical Properties of 1,11-UNDECANEDIOL (CAS 765-04-8)

InChI

InChI=1S/C11H24O2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2

InChI Key

XSMIOONHPKRREI-UHFFFAOYSA-N

Formula

C11H24O2

SMILES

OCCCCCCCCCCCO

Molecular Weight¹

188.31

CAS

765-04-8

Other Names

• Undecane-1,11-diol

• 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).
• 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	0.9645		Relay (1.0) Calculated Property
ΔfG°	-231.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-556.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.42	kJ/mol	Joback Calculated Property
ΔvapH°	119.66	kJ/mol	Relay (1.0) Calculated Property
IE	9.84	eV	Relay (1.0) Calculated Property
log10WS	-3.46		Relay (1.0) Calculated Property
logPoct/wat	2.482		Crippen Calculated Property
McVol	177.590	ml/mol	McGowan Calculated Property
Pc	2289.32	kPa	Joback Calculated Property
Tboil	574.16	K	Relay (1.0) Calculated Property
Tc	779.08	K	Relay (1.0) Calculated Property
Tfus	[334.10; 335.40]	K
Tfus	334.10	K	Thermodynamics of fusion and sublimation for a homologous series of eleven alkane-.alpha.,.omega.-diols HO-(CH2)n-OH: Structure-related odd even effect
Tfus	335.40 ± 1.50	K	NIST
Vc	0.688	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[263.84; 624.17]	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			3.47100e+00
Coefficient B			1.11680e+00
Coefficient C			-6.35400e-04
Coefficient D			1.39300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	263.84	J/mol×K	273.00	Calculated Property
Cp,gas	325.21	J/mol×K	353.78	Calculated Property
Cp,gas	380.23	J/mol×K	434.56	Calculated Property
Cp,gas	429.32	J/mol×K	515.33	Calculated Property
Cp,gas	472.93	J/mol×K	596.11	Calculated Property
Cp,gas	511.50	J/mol×K	676.89	Calculated Property
Cp,gas	545.46	J/mol×K	757.67	Calculated Property
Cp,gas	575.27	J/mol×K	838.44	Calculated Property
Cp,gas	601.36	J/mol×K	919.22	Calculated Property
Cp,gas	624.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0188448; 0.0000642]	Pa×s	[334.75; 555.61]	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			-1.82669e+01
Coefficient B			4.78538e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			334.75
Temperature range, max.			555.61
η	0.0188448	Pa×s	334.75	Calculated Property
η	0.0070982	Pa×s	359.29	Calculated Property
η	0.0030292	Pa×s	383.83	Calculated Property
η	0.0014320	Pa×s	408.37	Calculated Property
η	0.0007370	Pa×s	432.91	Calculated Property
η	0.0004073	Pa×s	457.45	Calculated Property
η	0.0002391	Pa×s	481.99	Calculated Property
η	0.0001478	Pa×s	506.53	Calculated Property
η	0.0000955	Pa×s	531.07	Calculated Property
η	0.0000642	Pa×s	555.61	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.61]	kPa	[455.92; 563.72]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.17069e+01
Coefficient B			-7.53576e+03
Coefficient C			-1.04100e+02
Temperature range, min.			455.92
Temperature range, max.			563.72
Pvap	1.33	kPa	455.92	Calculated Property
Pvap	2.70	kPa	467.90	Calculated Property
Pvap	5.22	kPa	479.88	Calculated Property
Pvap	9.70	kPa	491.85	Calculated Property
Pvap	17.37	kPa	503.83	Calculated Property
Pvap	30.06	kPa	515.81	Calculated Property
Pvap	50.44	kPa	527.79	Calculated Property
Pvap	82.25	kPa	539.76	Calculated Property
Pvap	130.66	kPa	551.74	Calculated Property
Pvap	202.61	kPa	563.72	Calculated Property

Similar Compounds

Find more compounds similar to 1,11-UNDECANEDIOL.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Thermodynamics of fusion and sublimation for a homologous series of eleven alkane-.alpha.,.omega.-diols HO-(CH2)n-OH: Structure-related odd even effect
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.