Chemical Properties of 1,2-DODECANEDIOL (CAS 1119-87-5)

InChI

InChI=1S/C12H26O2/c1-2-3-4-5-6-7-8-9-10-12(14)11-13/h12-14H,2-11H2,1H3

InChI Key

ZITKDVFRMRXIJQ-UHFFFAOYSA-N

Formula

C12H26O2

SMILES

CCCCCCCCCCC(O)CO

Molecular Weight¹

202.34

CAS

1119-87-5

Other Names

• dodecane-1,2-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).
• I_np : Non-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	0.9444		Relay (1.0) Calculated Property
ΔfG°	-225.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-605.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.49	kJ/mol	Joback Calculated Property
ΔvapH°	112.76	kJ/mol	Relay (1.0) Calculated Property
IE	10.01	eV	Relay (1.0) Calculated Property
log10WS	-3.44		Relay (1.0) Calculated Property
logPoct/wat	2.870		Crippen Calculated Property
McVol	191.680	ml/mol	McGowan Calculated Property
Pc	2108.07	kPa	Joback Calculated Property
Inp	[1621.00; 1621.00]
Inp	1621.00		NIST
Inp	1621.00		NIST
Tboil	578.75	K	Relay (1.0) Calculated Property
Tc	755.34	K	Relay (1.0) Calculated Property
Tfus	[332.15; 333.65]	K
Tfus	332.15 ± 2.00	K	NIST
Tfus	333.65 ± 0.40	K	NIST
Vc	0.737	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[284.74; 676.30]	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			8.80000e-01
Coefficient B			1.21772e+00
Coefficient C			-6.93000e-04
Coefficient D			1.50700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	284.74	J/mol×K	273.00	Calculated Property
Cp,gas	351.62	J/mol×K	353.78	Calculated Property
Cp,gas	411.55	J/mol×K	434.56	Calculated Property
Cp,gas	465.00	J/mol×K	515.33	Calculated Property
Cp,gas	512.44	J/mol×K	596.11	Calculated Property
Cp,gas	554.36	J/mol×K	676.89	Calculated Property
Cp,gas	591.23	J/mol×K	757.67	Calculated Property
Cp,gas	623.52	J/mol×K	838.44	Calculated Property
Cp,gas	651.72	J/mol×K	919.22	Calculated Property
Cp,gas	676.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0233589; 0.0000477]	Pa×s	[332.90; 573.22]	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			-1.85281e+01
Coefficient B			4.91736e+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.			332.90
Temperature range, max.			573.22
η	0.0233589	Pa×s	332.90	Calculated Property
η	0.0078001	Pa×s	359.60	Calculated Property
η	0.0030311	Pa×s	386.30	Calculated Property
η	0.0013310	Pa×s	413.01	Calculated Property
η	0.0006459	Pa×s	439.71	Calculated Property
η	0.0003405	Pa×s	466.41	Calculated Property
η	0.0001924	Pa×s	493.11	Calculated Property
η	0.0001153	Pa×s	519.82	Calculated Property
η	0.0000726	Pa×s	546.52	Calculated Property
η	0.0000477	Pa×s	573.22	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[451.92; 575.48]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.95107e+01
Coefficient B			-6.71291e+03
Coefficient C			-1.02710e+02
Temperature range, min.			451.92
Temperature range, max.			575.48
Pvap	1.33	kPa	451.92	Calculated Property
Pvap	2.76	kPa	465.65	Calculated Property
Pvap	5.41	kPa	479.38	Calculated Property
Pvap	10.13	kPa	493.11	Calculated Property
Pvap	18.17	kPa	506.84	Calculated Property
Pvap	31.36	kPa	520.56	Calculated Property
Pvap	52.28	kPa	534.29	Calculated Property
Pvap	84.44	kPa	548.02	Calculated Property
Pvap	132.55	kPa	561.75	Calculated Property
Pvap	202.67	kPa	575.48	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-DODECANEDIOL.

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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