Chemical Properties of 1,8-Nonadiene (CAS 4900-30-5)

InChI

InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-9H2

InChI Key

VJHGSLHHMIELQD-UHFFFAOYSA-N

Formula

C9H16

SMILES

C=CCCCCCC=C

Molecular Weight¹

124.22

CAS

4900-30-5

Other Names

• nona-1,8-diene

• 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	0.3779		Relay (1.0) Calculated Property
ΔfG°	200.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-24.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.51	kJ/mol	Joback Calculated Property
ΔvapH°	46.81	kJ/mol	Relay (1.0) Calculated Property
IE	9.51 ± 0.02	eV	NIST
log10WS	-4.51		Relay (1.0) Calculated Property
logPoct/wat	3.309		Crippen Calculated Property
McVol	129.070	ml/mol	McGowan Calculated Property
Pc	2505.01	kPa	Joback Calculated Property
Inp	[862.70; 892.00]
Inp	862.70		NIST
Inp	876.00		NIST
Inp	882.00		NIST
Inp	883.00		NIST
Inp	892.00		NIST
Inp	882.00		NIST
Inp	862.70		NIST
Tboil	[413.00; 416.00]	K
Tboil	415.70	K	NIST
Tboil	415.00 ± 2.00	K	NIST
Tboil	413.00 ± 2.00	K	NIST
Tboil	416.00 ± 4.00	K	NIST
Tc	600.27	K	Relay (1.0) Calculated Property
Tfus	205.86	K	Relay (1.0) Calculated Property
Vc	0.478	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[176.79; 426.62]	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			-1.12750e+01
Coefficient B			8.18800e-01
Coefficient C			-5.11600e-04
Coefficient D			1.30700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	176.79	J/mol×K	273.00	Calculated Property
Cp,gas	220.15	J/mol×K	353.78	Calculated Property
Cp,gas	258.65	J/mol×K	434.56	Calculated Property
Cp,gas	292.70	J/mol×K	515.33	Calculated Property
Cp,gas	322.71	J/mol×K	596.11	Calculated Property
Cp,gas	349.09	J/mol×K	676.89	Calculated Property
Cp,gas	372.26	J/mol×K	757.67	Calculated Property
Cp,gas	392.63	J/mol×K	838.44	Calculated Property
Cp,gas	410.61	J/mol×K	919.22	Calculated Property
Cp,gas	426.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0042470; 0.0002351]	Pa×s	[187.67; 398.04]	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			-1.09369e+01
Coefficient B			1.02756e+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.			187.67
Temperature range, max.			398.04
η	0.0042470	Pa×s	187.67	Calculated Property
η	0.0023159	Pa×s	211.04	Calculated Property
η	0.0014252	Pa×s	234.42	Calculated Property
η	0.0009578	Pa×s	257.79	Calculated Property
η	0.0006876	Pa×s	281.17	Calculated Property
η	0.0005194	Pa×s	304.54	Calculated Property
η	0.0004084	Pa×s	327.92	Calculated Property
η	0.0003315	Pa×s	351.29	Calculated Property
η	0.0002762	Pa×s	374.67	Calculated Property
η	0.0002351	Pa×s	398.04	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[314.02; 439.94]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.55780e+01
Coefficient B			-3.93452e+03
Coefficient C			-5.67010e+01
Temperature range, min.			314.02
Temperature range, max.			439.94
Pvap	1.33	kPa	314.02	Calculated Property
Pvap	2.93	kPa	328.01	Calculated Property
Pvap	5.97	kPa	342.00	Calculated Property
Pvap	11.38	kPa	355.99	Calculated Property
Pvap	20.47	kPa	369.98	Calculated Property
Pvap	35.02	kPa	383.98	Calculated Property
Pvap	57.33	kPa	397.97	Calculated Property
Pvap	90.28	kPa	411.96	Calculated Property
Pvap	137.35	kPa	425.95	Calculated Property
Pvap	202.66	kPa	439.94	Calculated Property

Similar Compounds

Find more compounds similar to 1,8-Nonadiene.

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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