Chemical Properties of 2-Dodecanol (CAS 10203-28-8)

InChI

InChI=1S/C12H26O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12-13H,3-11H2,1-2H3

InChI Key

XSWSEQPWKOWORN-UHFFFAOYSA-N

Formula

C12H26O

SMILES

CCCCCCCCCCC(C)O

Molecular Weight¹

186.34

CAS

10203-28-8

Other Names

• Dodecan-2-ol
• Dodecanol-2

• 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).
• 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.
• I_p : 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	0.7883		Relay (1.0) Calculated Property
ΔfG°	-89.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-477.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.40	kJ/mol	Joback Calculated Property
ΔvapH°	88.30	kJ/mol	Relay (1.0) Calculated Property
IE	9.81	eV	Relay (1.0) Calculated Property
log10WS	-4.28		Relay (1.0) Calculated Property
logPoct/wat	3.898		Crippen Calculated Property
McVol	185.810	ml/mol	McGowan Calculated Property
Pc	1940.65	kPa	Joback Calculated Property
Inp	[1417.00; 1417.00]
Inp	1417.00		NIST
Inp	1417.00		NIST
Ip	[1801.00; 1828.00]
Ip	1801.00		NIST
Ip	1806.00		NIST
Ip	1820.00		NIST
Ip	1828.00		NIST
Ip	1801.00		NIST
Ip	1828.00		NIST
Tboil	[518.15; 523.15]	K
Tboil	523.15 ± 3.00	K	NIST
Tboil	518.15 ± 3.00	K	NIST
Tc	694.65	K	Relay (1.0) Calculated Property
Tfus	292.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.733	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[85.00; 87.00]	kJ/mol	[318.00; 343.00]
ΔvapH	85.00	kJ/mol	318.00	NIST
ΔvapH	87.00	kJ/mol	343.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[272.23; 657.63]	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			-4.41100e+00
Coefficient B			1.18374e+00
Coefficient C			-6.62600e-04
Coefficient D			1.40900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	272.23	J/mol×K	273.00	Calculated Property
Cp,gas	337.68	J/mol×K	353.78	Calculated Property
Cp,gas	396.43	J/mol×K	434.56	Calculated Property
Cp,gas	448.93	J/mol×K	515.33	Calculated Property
Cp,gas	495.62	J/mol×K	596.11	Calculated Property
Cp,gas	536.96	J/mol×K	676.89	Calculated Property
Cp,gas	573.38	J/mol×K	757.67	Calculated Property
Cp,gas	605.34	J/mol×K	838.44	Calculated Property
Cp,gas	633.27	J/mol×K	919.22	Calculated Property
Cp,gas	657.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0161185; 0.0001534]	Pa×s	[292.15; 508.32]	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			-1.50734e+01
Coefficient B			3.19777e+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.			292.15
Temperature range, max.			508.32
η	0.0161185	Pa×s	292.15	Calculated Property
η	0.0070177	Pa×s	316.17	Calculated Property
η	0.0034360	Pa×s	340.19	Calculated Property
η	0.0018485	Pa×s	364.21	Calculated Property
η	0.0010738	Pa×s	388.23	Calculated Property
η	0.0006645	Pa×s	412.25	Calculated Property
η	0.0004335	Pa×s	436.27	Calculated Property
η	0.0002957	Pa×s	460.29	Calculated Property
η	0.0002095	Pa×s	484.30	Calculated Property
η	0.0001534	Pa×s	508.32	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[407.12; 549.95]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.65664e+01
Coefficient B			-5.20887e+03
Coefficient C			-8.71420e+01
Temperature range, min.			407.12
Temperature range, max.			549.95
Pvap	1.33	kPa	407.12	Calculated Property
Pvap	2.88	kPa	422.99	Calculated Property
Pvap	5.79	kPa	438.86	Calculated Property
Pvap	10.98	kPa	454.73	Calculated Property
Pvap	19.74	kPa	470.60	Calculated Property
Pvap	33.86	kPa	486.47	Calculated Property
Pvap	55.75	kPa	502.34	Calculated Property
Pvap	88.48	kPa	518.21	Calculated Property
Pvap	135.89	kPa	534.08	Calculated Property
Pvap	202.65	kPa	549.95	Calculated Property

Similar Compounds

Find more compounds similar to 2-Dodecanol.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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