Chemical Properties of Dodecane, 4-methyl- (CAS 6117-97-1)

InChI

InChI=1S/C13H28/c1-4-6-7-8-9-10-12-13(3)11-5-2/h13H,4-12H2,1-3H3

InChI Key

UZTXSMATBUWDDZ-UHFFFAOYSA-N

Formula

C13H28

SMILES

CCCCCCCCC(C)CCC

Molecular Weight¹

184.36

CAS

6117-97-1

Other Names

• 4-Methyldodecane

• 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).
• 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°	56.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-316.93	kJ/mol	Joback Calculated Property
ΔfusH°	25.90	kJ/mol	Joback Calculated Property
ΔvapH°	44.14	kJ/mol	Joback Calculated Property
log10WS	-5.02		Crippen Calculated Property
logPoct/wat	5.173		Crippen Calculated Property
McVol	194.030	ml/mol	McGowan Calculated Property
Pc	1655.15	kPa	Joback Calculated Property
Inp	[1255.00; 1261.00]
Inp	1259.00		NIST
Inp	1258.00		NIST
Inp	1256.00		NIST
Inp	1259.00		NIST
Inp	1261.00		NIST
Inp	1260.48		NIST
Inp	1260.29		NIST
Inp	1260.60		NIST
Inp	1259.69		NIST
Inp	1259.75		NIST
Inp	1259.86		NIST
Inp	1260.00		NIST
Inp	1257.00		NIST
Inp	1259.00		NIST
Inp	1259.00		NIST
Inp	1260.80		NIST
Inp	1260.00		NIST
Inp	1258.00		NIST
Inp	Outlier 1255.00		NIST
Inp	1256.00		NIST
Tboil	496.40	K	Joback Calculated Property
Tc	659.72	K	Joback Calculated Property
Tfus	223.70 ± 2.00	K	NIST
Vc	0.757	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[455.59; 552.81]	J/mol×K	[496.40; 659.72]
Cp,gas	455.59	J/mol×K	496.40	Joback Calculated Property
Cp,gas	473.45	J/mol×K	523.62	Joback Calculated Property
Cp,gas	490.62	J/mol×K	550.84	Joback Calculated Property
Cp,gas	507.13	J/mol×K	578.06	Joback Calculated Property
Cp,gas	522.98	J/mol×K	605.28	Joback Calculated Property
Cp,gas	538.20	J/mol×K	632.50	Joback Calculated Property
Cp,gas	552.81	J/mol×K	659.72	Joback Calculated Property
η	[0.0001881; 0.0096568]	Pa×s	[221.27; 496.40]
η	0.0096568	Pa×s	221.27	Joback Calculated Property
η	0.0028515	Pa×s	267.12	Joback Calculated Property
η	0.0012038	Pa×s	312.98	Joback Calculated Property
η	0.0006335	Pa×s	358.83	Joback Calculated Property
η	0.0003856	Pa×s	404.69	Joback Calculated Property
η	0.0002596	Pa×s	450.54	Joback Calculated Property
η	0.0001881	Pa×s	496.40	Joback Calculated Property
ΔvapH	52.00	kJ/mol	436.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[372.82; 529.90]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.72811e+01
Coefficient B			-6.35981e+03
Coefficient C			1.42600e+00
Temperature range, min.			372.82
Temperature range, max.			529.90
Pvap	1.33	kPa	372.82	Calculated Property
Pvap	2.84	kPa	390.27	Calculated Property
Pvap	5.68	kPa	407.73	Calculated Property
Pvap	10.73	kPa	425.18	Calculated Property
Pvap	19.28	kPa	442.63	Calculated Property
Pvap	33.14	kPa	460.09	Calculated Property
Pvap	54.76	kPa	477.54	Calculated Property
Pvap	87.34	kPa	494.99	Calculated Property
Pvap	134.95	kPa	512.45	Calculated Property
Pvap	202.64	kPa	529.90	Calculated Property

Similar Compounds

Find more compounds similar to Dodecane, 4-methyl-.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.