Chemical Properties of 2-Nonynoic acid (CAS 1846-70-4)

InChI

InChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h2-6H2,1H3,(H,10,11)

InChI Key

ZAWLBSATNLQTON-UHFFFAOYSA-N

Formula

C9H14O2

SMILES

CCCCCCC#CC(=O)O

Molecular Weight¹

154.21

CAS

1846-70-4

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• 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	0.6965		Relay (1.0) Calculated Property
ΔcH°liquid	-5159.30	kJ/mol	NIST
ΔfH°gas	-314.89	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	[-383.10; 428.40]	kJ/mol
ΔfH°liquid	-383.10 ± 5.00	kJ/mol	NIST
ΔfH°liquid	428.40	kJ/mol	NIST
ΔfusH°	32.33	kJ/mol	Joback Calculated Property
ΔvapH°	74.02	kJ/mol	Relay (1.0) Calculated Property
IE	10.15	eV	Relay (1.0) Calculated Property
log10WS	-2.42		Relay (1.0) Calculated Property
logPoct/wat	2.045		Crippen Calculated Property
McVol	136.510	ml/mol	McGowan Calculated Property
Pc	2976.29	kPa	Joback Calculated Property
Tboil	514.81	K	Relay (1.0) Calculated Property
Tc	698.63	K	Relay (1.0) Calculated Property
Tfus	[265.15; 265.15]	K
Tfus	265.15 ± 2.00	K	NIST
Tfus	265.15 ± 2.00	K	NIST
Vc	0.496	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[320.50; 382.98]	J/mol×K	[560.03; 764.82]
Cp,gas	320.50	J/mol×K	560.03	Joback Calculated Property
Cp,gas	332.36	J/mol×K	594.16	Joback Calculated Property
Cp,gas	343.61	J/mol×K	628.29	Joback Calculated Property
Cp,gas	354.27	J/mol×K	662.42	Joback Calculated Property
Cp,gas	364.37	J/mol×K	696.55	Joback Calculated Property
Cp,gas	373.93	J/mol×K	730.68	Joback Calculated Property
Cp,gas	382.98	J/mol×K	764.82	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.32; 200.62]	kPa	[418.15; 575.15]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.57127e+01
Coefficient B			-5.02201e+03
Coefficient C			-9.27850e+01
Temperature range, min.			418.15
Temperature range, max.			575.15
Pvap	1.32	kPa	418.15	Calculated Property
Pvap	2.90	kPa	435.59	Calculated Property
Pvap	5.89	kPa	453.04	Calculated Property
Pvap	11.20	kPa	470.48	Calculated Property
Pvap	20.15	kPa	487.93	Calculated Property
Pvap	34.49	kPa	505.37	Calculated Property
Pvap	56.51	kPa	522.82	Calculated Property
Pvap	89.09	kPa	540.26	Calculated Property
Pvap	135.75	kPa	557.71	Calculated Property
Pvap	200.62	kPa	575.15	Calculated Property

Similar Compounds

Find more compounds similar to 2-Nonynoic acid.

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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