Chemical Properties of 2-Methylhentriacontane (CAS 1720-12-3)

InChI

InChI=1S/C32H66/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(2)3/h32H,4-31H2,1-3H3

InChI Key

XRBHKBOAKDZICV-UHFFFAOYSA-N

Formula

C32H66

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C

Molecular Weight¹

450.88

CAS

1720-12-3

• 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	1.2513		Relay (1.0) Calculated Property
ΔfG°	216.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-722.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	75.11	kJ/mol	Joback Calculated Property
ΔvapH°	160.03	kJ/mol	Relay (1.0) Calculated Property
IE	10.30	eV	Relay (1.0) Calculated Property
log10WS	-11.89		Relay (1.0) Calculated Property
logPoct/wat	12.585		Crippen Calculated Property
McVol	461.740	ml/mol	McGowan Calculated Property
Pc	545.39	kPa	Joback Calculated Property
Inp	[3159.60; 3175.00]
Inp	3162.00		NIST
Inp	3159.60		NIST
Inp	3165.00		NIST
Inp	3162.00		NIST
Inp	Outlier 3175.00		NIST
Inp	3160.00		NIST
Inp	3162.00		NIST
Inp	3159.60		NIST
Tboil	653.52	K	Relay (1.0) Calculated Property
Tc	824.00	K	Relay (1.0) Calculated Property
Tfus	321.99	K	Relay (1.0) Calculated Property
Vc	1.840	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[684.01; 1670.78]	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			-2.78820e+01
Coefficient B			3.04976e+00
Coefficient C			-1.72020e-03
Coefficient D			3.69100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	684.01	J/mol×K	273.00	Calculated Property
Cp,gas	852.10	J/mol×K	353.78	Calculated Property
Cp,gas	1002.86	J/mol×K	434.56	Calculated Property
Cp,gas	1137.44	J/mol×K	515.33	Calculated Property
Cp,gas	1257.03	J/mol×K	596.11	Calculated Property
Cp,gas	1362.78	J/mol×K	676.89	Calculated Property
Cp,gas	1455.86	J/mol×K	757.67	Calculated Property
Cp,gas	1537.44	J/mol×K	838.44	Calculated Property
Cp,gas	1608.69	J/mol×K	919.22	Calculated Property
Cp,gas	1670.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009952; 0.0000281]	Pa×s	[435.40; 809.14]	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			-1.46328e+01
Coefficient B			3.36138e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			435.40
Temperature range, max.			809.14
η	0.0009952	Pa×s	435.40	Calculated Property
η	0.0005081	Pa×s	476.93	Calculated Property
η	0.0002889	Pa×s	518.45	Calculated Property
η	0.0001786	Pa×s	559.98	Calculated Property
η	0.0001180	Pa×s	601.51	Calculated Property
η	0.0000823	Pa×s	643.03	Calculated Property
η	0.0000599	Pa×s	684.56	Calculated Property
η	0.0000452	Pa×s	726.09	Calculated Property
η	0.0000352	Pa×s	767.62	Calculated Property
η	0.0000281	Pa×s	809.14	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[571.37; 774.57]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.48922e+01
Coefficient B			-5.65952e+03
Coefficient C			-1.83850e+02
Temperature range, min.			571.37
Temperature range, max.			774.57
Pvap	1.33	kPa	571.37	Calculated Property
Pvap	2.98	kPa	593.95	Calculated Property
Pvap	6.12	kPa	616.53	Calculated Property
Pvap	11.71	kPa	639.10	Calculated Property
Pvap	21.07	kPa	661.68	Calculated Property
Pvap	35.96	kPa	684.26	Calculated Property
Pvap	58.60	kPa	706.84	Calculated Property
Pvap	91.70	kPa	729.41	Calculated Property
Pvap	138.48	kPa	751.99	Calculated Property
Pvap	202.65	kPa	774.57	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methylhentriacontane.

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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