Chemical Properties of 3-Methyldodecanol (CAS ---)

InChI

InChI=1S/C13H28O/c1-3-4-5-6-7-8-9-10-13(2)11-12-14/h13-14H,3-12H2,1-2H3

InChI Key

LHXXGASVJRBDNC-UHFFFAOYSA-N

Formula

C13H28O

SMILES

CCCCCCCCCC(C)CCO

Molecular Weight¹

200.36

CAS

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• 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°	-80.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-469.16	kJ/mol	Joback Calculated Property
ΔfusH°	29.99	kJ/mol	Joback Calculated Property
ΔvapH°	60.82	kJ/mol	Joback Calculated Property
log10WS	-4.29		Crippen Calculated Property
logPoct/wat	4.146		Crippen Calculated Property
McVol	199.900	ml/mol	McGowan Calculated Property
Pc	1786.37	kPa	Joback Calculated Property
Inp	[1435.00; 1435.00]
Inp	1435.00		NIST
Inp	1435.00		NIST
Tboil	588.58	K	Joback Calculated Property
Tc	748.59	K	Joback Calculated Property
Tfus	282.09	K	Joback Calculated Property
Vc	0.776	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[530.09; 614.23]	J/mol×K	[588.58; 748.59]
Cp,gas	530.09	J/mol×K	588.58	Joback Calculated Property
Cp,gas	545.60	J/mol×K	615.25	Joback Calculated Property
Cp,gas	560.50	J/mol×K	641.92	Joback Calculated Property
Cp,gas	574.79	J/mol×K	668.59	Joback Calculated Property
Cp,gas	588.50	J/mol×K	695.25	Joback Calculated Property
Cp,gas	601.64	J/mol×K	721.92	Joback Calculated Property
Cp,gas	614.23	J/mol×K	748.59	Joback Calculated Property
η	[0.0000673; 0.0293029]	Pa×s	[282.09; 588.58]
η	0.0293029	Pa×s	282.09	Joback Calculated Property
η	0.0048963	Pa×s	333.17	Joback Calculated Property
η	0.0013165	Pa×s	384.25	Joback Calculated Property
η	0.0004818	Pa×s	435.33	Joback Calculated Property
η	0.0002178	Pa×s	486.42	Joback Calculated Property
η	0.0001145	Pa×s	537.50	Joback Calculated Property
η	0.0000673	Pa×s	588.58	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[414.16; 571.46]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.56774e+01
Coefficient B			-4.99511e+03
Coefficient C			-8.95880e+01
Temperature range, min.			414.16
Temperature range, max.			571.46
Pvap	1.33	kPa	414.16	Calculated Property
Pvap	2.93	kPa	431.64	Calculated Property
Pvap	5.95	kPa	449.12	Calculated Property
Pvap	11.34	kPa	466.59	Calculated Property
Pvap	20.39	kPa	484.07	Calculated Property
Pvap	34.89	kPa	501.55	Calculated Property
Pvap	57.15	kPa	519.03	Calculated Property
Pvap	90.07	kPa	536.50	Calculated Property
Pvap	137.17	kPa	553.98	Calculated Property
Pvap	202.63	kPa	571.46	Calculated Property

Similar Compounds

Find more compounds similar to 3-Methyldodecanol.

Sources

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

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