Chemical Properties of 3-Dodecanol (CAS 10203-30-2)

InChI

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

InChI Key

OKDGZLITBCRLLJ-UHFFFAOYSA-N

Formula

C12H26O

SMILES

CCCCCCCCCC(O)CC

Molecular Weight¹

186.33

CAS

10203-30-2

Other Names

• (dl) 3-dodecanol

• 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 : 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	0.7738		Relay (1.0) Calculated Property
ΔfG°	-89.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-464.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.40	kJ/mol	Joback Calculated Property
ΔvapH°	85.61	kJ/mol	Relay (1.0) Calculated Property
IE	9.74	eV	Relay (1.0) Calculated Property
log10WS	-4.16		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	1407.00		NIST
I	[1769.00; 1792.00]
I	1769.00		NIST
I	1779.00		NIST
I	1792.00		NIST
Tboil	516.01	K	Relay (1.0) Calculated Property
Tc	696.07	K	Relay (1.0) Calculated Property
Tfus	288.36	K	Relay (1.0) Calculated Property
Vc	0.728	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[478.70; 559.62]	J/mol×K	[565.70; 725.92]
Cp,gas	478.70	J/mol×K	565.70	Joback Calculated Property
Cp,gas	493.60	J/mol×K	592.40	Joback Calculated Property
Cp,gas	507.92	J/mol×K	619.11	Joback Calculated Property
Cp,gas	521.66	J/mol×K	645.81	Joback Calculated Property
Cp,gas	534.85	J/mol×K	672.51	Joback Calculated Property
Cp,gas	547.50	J/mol×K	699.22	Joback Calculated Property
Cp,gas	559.62	J/mol×K	725.92	Joback Calculated Property
η	[0.0000810; 0.0381702]	Pa×s	[270.82; 565.70]
η	0.0381702	Pa×s	270.82	Joback Calculated Property
η	0.0062239	Pa×s	319.97	Joback Calculated Property
η	0.0016449	Pa×s	369.11	Joback Calculated Property
η	0.0005944	Pa×s	418.26	Joback Calculated Property
η	0.0002660	Pa×s	467.41	Joback Calculated Property
η	0.0001387	Pa×s	516.55	Joback Calculated Property
η	0.0000810	Pa×s	565.70	Joback Calculated Property
ΔvapH	78.30	kJ/mol	318.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[397.03; 554.54]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53070e+01
Coefficient B			-4.70696e+03
Coefficient C			-8.36340e+01
Temperature range, min.			397.03
Temperature range, max.			554.54
Pvap	1.33	kPa	397.03	Calculated Property
Pvap	2.95	kPa	414.53	Calculated Property
Pvap	6.03	kPa	432.03	Calculated Property
Pvap	11.51	kPa	449.53	Calculated Property
Pvap	20.70	kPa	467.03	Calculated Property
Pvap	35.38	kPa	484.54	Calculated Property
Pvap	57.81	kPa	502.04	Calculated Property
Pvap	90.81	kPa	519.54	Calculated Property
Pvap	137.77	kPa	537.04	Calculated Property
Pvap	202.64	kPa	554.54	Calculated Property

Similar Compounds

Find more compounds similar to 3-Dodecanol.

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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