Chemical Properties of Decane, 3,6-dimethyl- (CAS 17312-53-7)

InChI

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

InChI Key

NQWFSCYWTXQNGG-UHFFFAOYSA-N

Formula

C12H26

SMILES

CCCCC(C)CCC(C)CC

Molecular Weight¹

170.33

CAS

17312-53-7

Other Names

• 3,6-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.
• 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	0.4915		Relay (1.0) Calculated Property
ΔfG°	45.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-320.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.79	kJ/mol	Joback Calculated Property
ΔvapH°	55.35	kJ/mol	Relay (1.0) Calculated Property
IE	9.49	eV	Relay (1.0) Calculated Property
log10WS	-6.26		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	[1129.00; 1129.00]
Inp	1129.00		NIST
Inp	1129.00		NIST
Tboil	469.22	K	Relay (1.0) Calculated Property
Tc	634.02	K	Relay (1.0) Calculated Property
Tfus	192.64	K	Relay (1.0) Calculated Property
Vc	0.674	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[406.97; 502.54]	J/mol×K	[473.08; 640.63]
Cp,gas	406.97	J/mol×K	473.08	Joback Calculated Property
Cp,gas	424.55	J/mol×K	501.00	Joback Calculated Property
Cp,gas	441.45	J/mol×K	528.93	Joback Calculated Property
Cp,gas	457.68	J/mol×K	556.85	Joback Calculated Property
Cp,gas	473.26	J/mol×K	584.78	Joback Calculated Property
Cp,gas	488.21	J/mol×K	612.70	Joback Calculated Property
Cp,gas	502.54	J/mol×K	640.63	Joback Calculated Property
η	[0.0001925; 0.0185767]	Pa×s	[195.00; 473.08]
η	0.0185767	Pa×s	195.00	Joback Calculated Property
η	0.0041744	Pa×s	241.35	Joback Calculated Property
η	0.0015175	Pa×s	287.69	Joback Calculated Property
η	0.0007305	Pa×s	334.04	Joback Calculated Property
η	0.0004202	Pa×s	380.39	Joback Calculated Property
η	0.0002726	Pa×s	426.73	Joback Calculated Property
η	0.0001925	Pa×s	473.08	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[353.80; 504.47]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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, 3,6-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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