Chemical Properties of nonatriacontane (CAS 7194-86-7)

InChI

InChI=1S/C39H80/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3

InChI Key

SNXOSZZZNFRFNZ-UHFFFAOYSA-N

Formula

C39H80

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

549.07

CAS

7194-86-7

• 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).
• 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	1.5338		Relay (1.0) Calculated Property
ΔfG°	277.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-854.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	96.77	kJ/mol	Joback Calculated Property
ΔvapH°	198.96	kJ/mol	Relay (1.0) Calculated Property
IE	10.57	eV	Relay (1.0) Calculated Property
log10WS	-13.84		Relay (1.0) Calculated Property
logPoct/wat	15.460		Crippen Calculated Property
McVol	560.370	ml/mol	McGowan Calculated Property
Pc	406.15	kPa	Joback Calculated Property
Tboil	691.72	K	Relay (1.0) Calculated Property
Tc	858.50	K	Relay (1.0) Calculated Property
Tfus	[352.00; 353.40]	K
Tfus	353.40 ± 0.60	K	NIST
Tfus	352.00 ± 4.00	K	NIST
Tfus	352.20 ± 4.00	K	NIST
Vc	2.254	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[832.82; 2031.38]	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			-3.25630e+01
Coefficient B			3.70884e+00
Coefficient C			-2.09780e-03
Coefficient D			4.52900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	832.82	J/mol×K	273.00	Calculated Property
Cp,gas	1037.04	J/mol×K	353.78	Calculated Property
Cp,gas	1220.15	J/mol×K	434.56	Calculated Property
Cp,gas	1383.60	J/mol×K	515.33	Calculated Property
Cp,gas	1528.80	J/mol×K	596.11	Calculated Property
Cp,gas	1657.20	J/mol×K	676.89	Calculated Property
Cp,gas	1770.23	J/mol×K	757.67	Calculated Property
Cp,gas	1869.31	J/mol×K	838.44	Calculated Property
Cp,gas	1955.88	J/mol×K	919.22	Calculated Property
Cp,gas	2031.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0123085; 0.0000079]	Pa×s	[352.53; 1009.99]	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			-1.56948e+01
Coefficient B			3.98268e+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.			352.53
Temperature range, max.			1009.99
η	0.0123085	Pa×s	352.53	Calculated Property
η	0.0017703	Pa×s	425.58	Calculated Property
η	0.0004494	Pa×s	498.64	Calculated Property
η	0.0001619	Pa×s	571.69	Calculated Property
η	0.0000735	Pa×s	644.74	Calculated Property
η	0.0000392	Pa×s	717.79	Calculated Property
η	0.0000235	Pa×s	790.84	Calculated Property
η	0.0000153	Pa×s	863.89	Calculated Property
η	0.0000107	Pa×s	936.94	Calculated Property
η	0.0000079	Pa×s	1009.99	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[610.42; 836.52]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.52954e+01
Coefficient B			-6.74346e+03
Coefficient C			-1.61090e+02
Temperature range, min.			610.42
Temperature range, max.			836.52
Pvap	1.33	kPa	610.42	Calculated Property
Pvap	2.95	kPa	635.54	Calculated Property
Pvap	6.03	kPa	660.66	Calculated Property
Pvap	11.51	kPa	685.79	Calculated Property
Pvap	20.71	kPa	710.91	Calculated Property
Pvap	35.39	kPa	736.03	Calculated Property
Pvap	57.83	kPa	761.15	Calculated Property
Pvap	90.84	kPa	786.28	Calculated Property
Pvap	137.79	kPa	811.40	Calculated Property
Pvap	202.65	kPa	836.52	Calculated Property

Similar Compounds

Find more compounds similar to nonatriacontane.

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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