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

• 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.
• 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	0.5664		Relay (1.0) Calculated Property
ΔfG°	56.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-316.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.90	kJ/mol	Joback Calculated Property
ΔvapH°	62.88	kJ/mol	Relay (1.0) Calculated Property
IE	9.58	eV	Relay (1.0) Calculated Property
log10WS	-6.65		Relay (1.0) 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	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
Inp	1257.00		NIST
Inp	1259.00		NIST
Tboil	491.57	K	Relay (1.0) Calculated Property
Tc	664.23	K	Relay (1.0) Calculated Property
Tfus	223.70 ± 2.00	K	NIST
Vc	0.750	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[280.95; 690.55]	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			-1.06110e+01
Coefficient B			1.24476e+00
Coefficient C			-6.86600e-04
Coefficient D			1.43000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	280.95	J/mol×K	273.00	Calculated Property
Cp,gas	350.16	J/mol×K	353.78	Calculated Property
Cp,gas	412.38	J/mol×K	434.56	Calculated Property
Cp,gas	468.09	J/mol×K	515.33	Calculated Property
Cp,gas	517.71	J/mol×K	596.11	Calculated Property
Cp,gas	561.72	J/mol×K	676.89	Calculated Property
Cp,gas	600.55	J/mol×K	757.67	Calculated Property
Cp,gas	634.67	J/mol×K	838.44	Calculated Property
Cp,gas	664.51	J/mol×K	919.22	Calculated Property
Cp,gas	690.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0089394; 0.0002381]	Pa×s	[223.70; 461.99]	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			-1.17461e+01
Coefficient B			1.57234e+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.			223.70
Temperature range, max.			461.99
η	0.0089394	Pa×s	223.70	Calculated Property
η	0.0042487	Pa×s	250.18	Calculated Property
η	0.0023283	Pa×s	276.65	Calculated Property
η	0.0014172	Pa×s	303.13	Calculated Property
η	0.0009343	Pa×s	329.61	Calculated Property
η	0.0006553	Pa×s	356.08	Calculated Property
η	0.0004827	Pa×s	382.56	Calculated Property
η	0.0003700	Pa×s	409.04	Calculated Property
η	0.0002929	Pa×s	435.51	Calculated Property
η	0.0002381	Pa×s	461.99	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[372.82; 529.90]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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