Chemical Properties of 1-Nonatriacontene (CAS 61868-17-5)

InChI

InChI=1S/C39H78/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/h3H,1,4-39H2,2H3

InChI Key

KNEBRZXNWZPYBZ-UHFFFAOYSA-N

Formula

C39H78

SMILES

C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

547.04

CAS

61868-17-5

• 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	1.4918		Relay (1.0) Calculated Property
ΔfG°	365.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-742.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	95.49	kJ/mol	Joback Calculated Property
ΔvapH°	191.67	kJ/mol	Relay (1.0) Calculated Property
IE	10.36	eV	Relay (1.0) Calculated Property
log10WS	-13.49		Relay (1.0) Calculated Property
logPoct/wat	15.236		Crippen Calculated Property
McVol	556.070	ml/mol	McGowan Calculated Property
Pc	413.11	kPa	Joback Calculated Property
Inp	[2895.00; 3890.00]
Inp	2895.00		NIST
Inp	3880.00		NIST
Inp	3890.00		NIST
Inp	2895.00		NIST
Tboil	720.19	K	Relay (1.0) Calculated Property
Tc	869.08	K	Relay (1.0) Calculated Property
Tfus	335.53	K	Relay (1.0) Calculated Property
Vc	2.189	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[2073.52; 2278.19]	J/mol×K	[1088.40; 1430.19]
Cp,gas	2073.52	J/mol×K	1088.40	Joback Calculated Property
Cp,gas	2114.08	J/mol×K	1145.37	Joback Calculated Property
Cp,gas	2151.37	J/mol×K	1202.33	Joback Calculated Property
Cp,gas	2185.90	J/mol×K	1259.30	Joback Calculated Property
Cp,gas	2218.20	J/mol×K	1316.26	Joback Calculated Property
Cp,gas	2248.79	J/mol×K	1373.23	Joback Calculated Property
Cp,gas	2278.19	J/mol×K	1430.19	Joback Calculated Property
η	[0.0000064; 0.0002930]	Pa×s	[527.53; 1088.40]
η	0.0002930	Pa×s	527.53	Joback Calculated Property
η	0.0000958	Pa×s	621.01	Joback Calculated Property
η	0.0000420	Pa×s	714.49	Joback Calculated Property
η	0.0000223	Pa×s	807.97	Joback Calculated Property
η	0.0000135	Pa×s	901.44	Joback Calculated Property
η	0.0000089	Pa×s	994.92	Joback Calculated Property
η	0.0000064	Pa×s	1088.40	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[609.62; 850.59]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46684e+01
Coefficient B			-6.45423e+03
Coefficient C			-1.60812e+02
Temperature range, min.			609.62
Temperature range, max.			850.59
Pvap	1.33	kPa	609.62	Calculated Property
Pvap	3.00	kPa	636.39	Calculated Property
Pvap	6.18	kPa	663.17	Calculated Property
Pvap	11.83	kPa	689.94	Calculated Property
Pvap	21.29	kPa	716.72	Calculated Property
Pvap	36.29	kPa	743.49	Calculated Property
Pvap	59.04	kPa	770.27	Calculated Property
Pvap	92.20	kPa	797.04	Calculated Property
Pvap	138.88	kPa	823.82	Calculated Property
Pvap	202.64	kPa	850.59	Calculated Property

Similar Compounds

Find more compounds similar to 1-Nonatriacontene.

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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