Chemical Properties of Decane, 2,4-dimethyl- (CAS 2801-84-5)

InChI

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

InChI Key

OJAFXEXESSNPMH-UHFFFAOYSA-N

Formula

C12H26

SMILES

CCCCCCC(C)CC(C)C

Molecular Weight¹

170.34

CAS

2801-84-5

Other Names

• 2,4-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).
• 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	0.5016		Relay (1.0) Calculated Property
ΔfG°	45.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-306.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.79	kJ/mol	Joback Calculated Property
ΔvapH°	55.11	kJ/mol	Relay (1.0) Calculated Property
IE	9.58	eV	Relay (1.0) Calculated Property
log10WS	-6.34		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	[1106.00; 1115.00]
Inp	1115.00		NIST
Inp	1106.00		NIST
Inp	1106.00		NIST
Tboil	464.64	K	Relay (1.0) Calculated Property
Tc	635.66	K	Relay (1.0) Calculated Property
Tfus	[183.00; 189.00]	K
Tfus	183.00 ± 3.00	K	NIST
Tfus	189.00 ± 3.00	K	NIST
Vc	0.681	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

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	[0.0270609; 0.0002292]	Pa×s	[186.00; 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.			186.00
Temperature range, max.			448.63
η	0.0270609	Pa×s	186.00	Calculated Property
η	0.0089601	Pa×s	215.18	Calculated Property
η	0.0038631	Pa×s	244.36	Calculated Property
η	0.0019930	Pa×s	273.54	Calculated Property
η	0.0011681	Pa×s	302.72	Calculated Property
η	0.0007521	Pa×s	331.91	Calculated Property
η	0.0005200	Pa×s	361.09	Calculated Property
η	0.0003799	Pa×s	390.27	Calculated Property
η	0.0002899	Pa×s	419.45	Calculated Property
η	0.0002292	Pa×s	448.63	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[353.08; 503.40]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40600e+01
Coefficient B			-3.60516e+03
Coefficient C			-9.13150e+01
Temperature range, min.			353.08
Temperature range, max.			503.40
Pvap	1.33	kPa	353.08	Calculated Property
Pvap	3.05	kPa	369.78	Calculated Property
Pvap	6.34	kPa	386.48	Calculated Property
Pvap	12.19	kPa	403.19	Calculated Property
Pvap	21.93	kPa	419.89	Calculated Property
Pvap	37.29	kPa	436.59	Calculated Property
Pvap	60.36	kPa	453.29	Calculated Property
Pvap	93.66	kPa	470.00	Calculated Property
Pvap	140.03	kPa	486.70	Calculated Property
Pvap	202.64	kPa	503.40	Calculated Property

Similar Compounds

Find more compounds similar to Decane, 2,4-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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