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

202.33

CAS

1119-87-5

Other Names

• dodecane-1,2-diol

• 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.
• 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°	-225.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-600.75	kJ/mol	Joback Calculated Property
ΔfusH°	31.49	kJ/mol	Joback Calculated Property
ΔvapH°	75.28	kJ/mol	Joback Calculated Property
log10WS	-3.48		Crippen 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	657.88	K	Joback Calculated Property
Tc	818.64	K	Joback Calculated Property
Tfus	[332.15; 333.65]	K
Tfus	332.15 ± 2.00	K	NIST
Tfus	333.65 ± 0.40	K	NIST
Vc	0.740	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[544.97; 616.00]	J/mol×K	[657.88; 818.64]
Cp,gas	544.97	J/mol×K	657.88	Joback Calculated Property
Cp,gas	558.13	J/mol×K	684.67	Joback Calculated Property
Cp,gas	570.73	J/mol×K	711.47	Joback Calculated Property
Cp,gas	582.81	J/mol×K	738.26	Joback Calculated Property
Cp,gas	594.36	J/mol×K	765.05	Joback Calculated Property
Cp,gas	605.42	J/mol×K	791.85	Joback Calculated Property
Cp,gas	616.00	J/mol×K	818.64	Joback Calculated Property
η	[0.0000158; 0.0247073]	Pa×s	[331.64; 657.88]
η	0.0247073	Pa×s	331.64	Joback Calculated Property
η	0.0030604	Pa×s	386.01	Joback Calculated Property
η	0.0006349	Pa×s	440.39	Joback Calculated Property
η	0.0001861	Pa×s	494.76	Joback Calculated Property
η	0.0000696	Pa×s	549.13	Joback Calculated Property
η	0.0000310	Pa×s	603.51	Joback Calculated Property
η	0.0000158	Pa×s	657.88	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[451.92; 575.48]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

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

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