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°	197.71	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	856.99	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	2.253	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[2105.48; 2311.77]	J/mol×K	[1091.72; 1442.58]
Cp,gas	2105.48	J/mol×K	1091.72	Joback Calculated Property
Cp,gas	2147.20	J/mol×K	1150.20	Joback Calculated Property
Cp,gas	2185.26	J/mol×K	1208.67	Joback Calculated Property
Cp,gas	2220.20	J/mol×K	1267.15	Joback Calculated Property
Cp,gas	2252.57	J/mol×K	1325.63	Joback Calculated Property
Cp,gas	2282.92	J/mol×K	1384.11	Joback Calculated Property
Cp,gas	2311.77	J/mol×K	1442.58	Joback Calculated Property
η	[0.0000059; 0.0002830]	Pa×s	[529.29; 1091.72]
η	0.0002830	Pa×s	529.29	Joback Calculated Property
η	0.0000912	Pa×s	623.03	Joback Calculated Property
η	0.0000395	Pa×s	716.77	Joback Calculated Property
η	0.0000208	Pa×s	810.50	Joback Calculated Property
η	0.0000125	Pa×s	904.24	Joback Calculated Property
η	0.0000083	Pa×s	997.98	Joback Calculated Property
η	0.0000059	Pa×s	1091.72	Joback Calculated Property
ΔvapH	130.30	kJ/mol	671.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[610.42; 836.52]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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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