Chemical Properties of 2-Methyltriacontane (CAS 1560-72-1)

InChI

InChI=1S/C31H64/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(2)3/h31H,4-30H2,1-3H3

InChI Key

XXXQDPROWGQIIR-UHFFFAOYSA-N

Formula

C31H64

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C

Molecular Weight¹

436.84

CAS

1560-72-1

• 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	1.2162		Relay (1.0) Calculated Property
ΔfG°	207.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-702.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	72.52	kJ/mol	Joback Calculated Property
ΔvapH°	155.22	kJ/mol	Relay (1.0) Calculated Property
IE	10.26	eV	Relay (1.0) Calculated Property
log10WS	-11.62		Relay (1.0) Calculated Property
logPoct/wat	12.195		Crippen Calculated Property
McVol	447.650	ml/mol	McGowan Calculated Property
Pc	570.69	kPa	Joback Calculated Property
Inp	[3059.90; 3084.00]
Inp	3062.00		NIST
Inp	3063.00		NIST
Inp	3059.90		NIST
Inp	3060.70		NIST
Inp	3065.00		NIST
Inp	3064.00		NIST
Inp	3065.10		NIST
Inp	3064.00		NIST
Inp	3060.00		NIST
Inp	Outlier 3084.00		NIST
Inp	3062.00		NIST
Inp	3063.00		NIST
Inp	3059.90		NIST
Inp	3064.00		NIST
Tboil	647.31	K	Relay (1.0) Calculated Property
Tc	818.16	K	Relay (1.0) Calculated Property
Tfus	320.09	K	Relay (1.0) Calculated Property
Vc	1.786	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[662.79; 1619.19]	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			-2.69730e+01
Coefficient B			2.95476e+00
Coefficient C			-1.66580e-03
Coefficient D			3.57200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	662.79	J/mol×K	273.00	Calculated Property
Cp,gas	825.68	J/mol×K	353.78	Calculated Property
Cp,gas	971.78	J/mol×K	434.56	Calculated Property
Cp,gas	1102.21	J/mol×K	515.33	Calculated Property
Cp,gas	1218.12	J/mol×K	596.11	Calculated Property
Cp,gas	1320.62	J/mol×K	676.89	Calculated Property
Cp,gas	1410.85	J/mol×K	757.67	Calculated Property
Cp,gas	1489.93	J/mol×K	838.44	Calculated Property
Cp,gas	1559.00	J/mol×K	919.22	Calculated Property
Cp,gas	1619.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011568; 0.0000334]	Pa×s	[424.13; 785.73]	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			-1.44654e+01
Coefficient B			3.26722e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			424.13
Temperature range, max.			785.73
η	0.0011568	Pa×s	424.13	Calculated Property
η	0.0005940	Pa×s	464.31	Calculated Property
η	0.0003392	Pa×s	504.48	Calculated Property
η	0.0002103	Pa×s	544.66	Calculated Property
η	0.0001393	Pa×s	584.84	Calculated Property
η	0.0000973	Pa×s	625.02	Calculated Property
η	0.0000709	Pa×s	665.19	Calculated Property
η	0.0000536	Pa×s	705.37	Calculated Property
η	0.0000418	Pa×s	745.55	Calculated Property
η	0.0000334	Pa×s	785.73	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[564.39; 766.16]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.48634e+01
Coefficient B			-5.59183e+03
Coefficient C			-1.80750e+02
Temperature range, min.			564.39
Temperature range, max.			766.16
Pvap	1.33	kPa	564.39	Calculated Property
Pvap	2.98	kPa	586.81	Calculated Property
Pvap	6.13	kPa	609.23	Calculated Property
Pvap	11.73	kPa	631.65	Calculated Property
Pvap	21.10	kPa	654.07	Calculated Property
Pvap	36.00	kPa	676.48	Calculated Property
Pvap	58.65	kPa	698.90	Calculated Property
Pvap	91.76	kPa	721.32	Calculated Property
Pvap	138.53	kPa	743.74	Calculated Property
Pvap	202.64	kPa	766.16	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyltriacontane.

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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