Chemical Properties of Decane, 5,6-dimethyl- (CAS 1636-43-7)

InChI

InChI=1S/C12H26/c1-5-7-9-11(3)12(4)10-8-6-2/h11-12H,5-10H2,1-4H3

InChI Key

NCJIZIYQFWXMFZ-UHFFFAOYSA-N

Formula

C12H26

SMILES

CCCCC(C)C(C)CCCC

Molecular Weight¹

170.33

CAS

1636-43-7

Other Names

• 5,6-Dimethyldecane

• 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).
• 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	0.4844		Relay (1.0) Calculated Property
ΔfG°	45.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-298.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.79	kJ/mol	Joback Calculated Property
ΔvapH°	56.23	kJ/mol	Relay (1.0) Calculated Property
IE	9.37	eV	Relay (1.0) Calculated Property
log10WS	-6.17		Relay (1.0) Calculated Property
logPoct/wat	4.639		Crippen Calculated Property
McVol	179.940	ml/mol	McGowan Calculated Property
Pc	1804.63	kPa	Joback Calculated Property
Inp	[1126.00; 1135.00]
Inp	1130.00		NIST
Inp	1126.00		NIST
Inp	1135.00		NIST
Inp	1130.00		NIST
Ip	[1129.00; 1129.00]
Ip	1129.00		NIST
Ip	1129.00		NIST
Ip	1129.00		NIST
Tboil	471.51	K	Relay (1.0) Calculated Property
Tc	640.27	K	Relay (1.0) Calculated Property
Tfus	209.19	K	Relay (1.0) Calculated Property
Vc	0.668	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[259.42; 639.50]	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			-1.13840e+01
Coefficient B			1.15568e+00
Coefficient C			-6.35400e-04
Coefficient D			1.30600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	259.42	J/mol×K	273.00	Calculated Property
Cp,gas	323.73	J/mol×K	353.78	Calculated Property
Cp,gas	381.55	J/mol×K	434.56	Calculated Property
Cp,gas	433.31	J/mol×K	515.33	Calculated Property
Cp,gas	479.41	J/mol×K	596.11	Calculated Property
Cp,gas	520.26	J/mol×K	676.89	Calculated Property
Cp,gas	556.28	J/mol×K	757.67	Calculated Property
Cp,gas	587.89	J/mol×K	838.44	Calculated Property
Cp,gas	615.49	J/mol×K	919.22	Calculated Property
Cp,gas	639.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0185767; 0.0002292]	Pa×s	[195.00; 448.63]	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			-1.17602e+01
Coefficient B			1.51600e+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.			195.00
Temperature range, max.			448.63
η	0.0185767	Pa×s	195.00	Calculated Property
η	0.0069604	Pa×s	223.18	Calculated Property
η	0.0032501	Pa×s	251.36	Calculated Property
η	0.0017695	Pa×s	279.54	Calculated Property
η	0.0010769	Pa×s	307.72	Calculated Property
η	0.0007123	Pa×s	335.91	Calculated Property
η	0.0005023	Pa×s	364.09	Calculated Property
η	0.0003724	Pa×s	392.27	Calculated Property
η	0.0002874	Pa×s	420.45	Calculated Property
η	0.0002292	Pa×s	448.63	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[353.80; 504.47]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40633e+01
Coefficient B			-3.61587e+03
Coefficient C			-9.13150e+01
Temperature range, min.			353.80
Temperature range, max.			504.47
Pvap	1.33	kPa	353.80	Calculated Property
Pvap	3.05	kPa	370.54	Calculated Property
Pvap	6.34	kPa	387.28	Calculated Property
Pvap	12.19	kPa	404.02	Calculated Property
Pvap	21.93	kPa	420.76	Calculated Property
Pvap	37.28	kPa	437.51	Calculated Property
Pvap	60.36	kPa	454.25	Calculated Property
Pvap	93.66	kPa	470.99	Calculated Property
Pvap	140.03	kPa	487.73	Calculated Property
Pvap	202.65	kPa	504.47	Calculated Property

Similar Compounds

Find more compounds similar to Decane, 5,6-dimethyl-.

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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