Chemical Properties of 1,12-Dodecanediol (CAS 5675-51-4)

InChI

InChI=1S/C12H26O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h13-14H,1-12H2

InChI Key

GHLKSLMMWAKNBM-UHFFFAOYSA-N

Formula

C12H26O2

SMILES

OCCCCCCCCCCCCO

Molecular Weight¹

202.34

CAS

5675-51-4

Other Names

• 1,12-dihydroxydodecane
• Dodecamethylene glycol
• dodecane-1,12-diol
• n-dodecane-1,12-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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	1.0002		Relay (1.0) Calculated Property
ΔfG°	-223.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-576.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.01	kJ/mol	Joback Calculated Property
ΔvapH°	124.24	kJ/mol	Relay (1.0) Calculated Property
IE	9.86	eV	Relay (1.0) Calculated Property
log10WS	-3.94		Relay (1.0) Calculated Property
logPoct/wat	2.872		Crippen Calculated Property
McVol	191.680	ml/mol	McGowan Calculated Property
Pc	2092.66	kPa	Joback Calculated Property
Inp	[1725.00; 1728.00]
Inp	1728.00		NIST
Inp	1725.00		NIST
Inp	1725.00		NIST
Tboil	581.21	K	Relay (1.0) Calculated Property
Tc	798.00	K	Critical temperatures and pressures of straight-chain alkanediols (C3 to C12)
Tfus	352.90	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
Vc	0.744	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[285.05; 675.76]	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			2.56200e+00
Coefficient B			1.21180e+00
Coefficient C			-6.89800e-04
Coefficient D			1.51200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	285.05	J/mol×K	273.00	Calculated Property
Cp,gas	351.63	J/mol×K	353.78	Calculated Property
Cp,gas	411.30	J/mol×K	434.56	Calculated Property
Cp,gas	464.55	J/mol×K	515.33	Calculated Property
Cp,gas	511.84	J/mol×K	596.11	Calculated Property
Cp,gas	553.66	J/mol×K	676.89	Calculated Property
Cp,gas	590.48	J/mol×K	757.67	Calculated Property
Cp,gas	622.79	J/mol×K	838.44	Calculated Property
Cp,gas	651.05	J/mol×K	919.22	Calculated Property
Cp,gas	675.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0103882; 0.0000639]	Pa×s	[352.90; 558.60]	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			-1.83941e+01
Coefficient B			4.87954e+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.			352.90
Temperature range, max.			558.60
η	0.0103882	Pa×s	352.90	Calculated Property
η	0.0044801	Pa×s	375.76	Calculated Property
η	0.0021277	Pa×s	398.61	Calculated Property
η	0.0010955	Pa×s	421.47	Calculated Property
η	0.0006039	Pa×s	444.32	Calculated Property
η	0.0003529	Pa×s	467.18	Calculated Property
η	0.0002168	Pa×s	490.03	Calculated Property
η	0.0001391	Pa×s	512.89	Calculated Property
η	0.0000927	Pa×s	535.74	Calculated Property
η	0.0000639	Pa×s	558.60	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[467.12; 571.30]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.26296e+01
Coefficient B			-8.02364e+03
Coefficient C			-1.07992e+02
Temperature range, min.			467.12
Temperature range, max.			571.30
Pvap	1.33	kPa	467.12	Calculated Property
Pvap	2.68	kPa	478.70	Calculated Property
Pvap	5.16	kPa	490.27	Calculated Property
Pvap	9.56	kPa	501.85	Calculated Property
Pvap	17.10	kPa	513.42	Calculated Property
Pvap	29.62	kPa	525.00	Calculated Property
Pvap	49.81	kPa	536.57	Calculated Property
Pvap	81.50	kPa	548.15	Calculated Property
Pvap	130.02	kPa	559.72	Calculated Property
Pvap	202.64	kPa	571.30	Calculated Property

Similar Compounds

Find more compounds similar to 1,12-Dodecanediol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Critical temperatures and pressures of straight-chain alkanediols (C3 to C12)
• Thermodynamics of fusion and sublimation for a homologous series of eleven alkane-.alpha.,.omega.-diols HO-(CH2)n-OH: Structure-related odd even effect
• Vaporization Enthalpies of the r,o-Alkanediols by Correlation Gas Chromatography
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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