Chemical Properties of Nonanoic acid (CAS 112-05-0)

InChI

InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)

InChI Key

FBUKVWPVBMHYJY-UHFFFAOYSA-N

Formula

C9H18O2

SMILES

CCCCCCCCC(=O)O

Molecular Weight¹

158.24

CAS

112-05-0

Other Names

• 1-Nonanoic acid
• 1-Octanecarboxylic acid
• Cirrasol 185a
• Emery 1203
• Emfac 1202
• Hexacid C-9
• N-PELARGONIC ACID
• NSC 62787
• Nonoic acid
• Pelargic acid
• Pelargon
• n-Nonanoic acid
• n-Nonoic acid
• n-Nonylic acid
• nonylic acid
• pelargonic acid

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7939		Relay (1.0) Calculated Property
ΔcH°liquid	[-5456.10; -5452.25]	kJ/mol
ΔcH°liquid	-5456.10 ± 0.90	kJ/mol	NIST
ΔcH°liquid	-5452.25 ± 0.96	kJ/mol	NIST
ΔfG°	-319.01	kJ/mol	Joback Calculated Property
ΔfH°gas	[-579.50; -575.60]	kJ/mol
ΔfH°gas	-575.60 ± 1.00	kJ/mol	NIST
ΔfH°gas	-579.50 ± 1.00	kJ/mol	NIST
ΔfH°gas	-579.50 ± 1.00	kJ/mol	NIST
ΔfH°liquid	[-661.91; -658.00]	kJ/mol
ΔfH°liquid	-658.00 ± 0.90	kJ/mol	NIST
ΔfH°liquid	-661.91 ± 0.96	kJ/mol	NIST
ΔfusH°	29.21	kJ/mol	Joback Calculated Property
ΔvapH°	[82.40; 82.40]	kJ/mol
ΔvapH°	82.40 ± 0.40	kJ/mol	NIST
ΔvapH°	82.40 ± 0.40	kJ/mol	NIST
IE	9.99	eV	Relay (1.0) Calculated Property
log10WS	-2.75		Aq. Solubility Prediction
logPoct/wat	2.822		Crippen Calculated Property
McVol	145.110	ml/mol	McGowan Calculated Property
Pc	[2346.36; 2350.00]	kPa
Pc	2350.00 ± 200.00	kPa	NIST
Pc	2346.36 ± 90.00	kPa	NIST
Inp	[214.30; 1319.00]
Inp	1283.00		NIST
Inp	1288.00		NIST
Inp	1260.00		NIST
Inp	1272.00		NIST
Inp	1295.00		NIST
Inp	1300.00		NIST
Inp	1302.00		NIST
Inp	1302.00		NIST
Inp	1303.00		NIST
Inp	1297.00		NIST
Inp	1278.00		NIST
Inp	1280.00		NIST
Inp	1272.00		NIST
Inp	1272.10		NIST
Inp	1268.00		NIST
Inp	1307.00		NIST
Inp	1290.00		NIST
Inp	1263.00		NIST
Inp	1263.00		NIST
Inp	1293.00		NIST
Inp	1277.00		NIST
Inp	1240.00		NIST
Inp	1280.00		NIST
Inp	1273.00		NIST
Inp	1280.00		NIST
Inp	1280.00		NIST
Inp	1281.00		NIST
Inp	1276.00		NIST
Inp	1280.00		NIST
Inp	1283.00		NIST
Inp	1260.00		NIST
Inp	1275.00		NIST
Inp	1269.00		NIST
Inp	1267.00		NIST
Inp	1276.00		NIST
Inp	1280.00		NIST
Inp	1256.00		NIST
Inp	1256.00		NIST
Inp	1280.00		NIST
Inp	1280.00		NIST
Inp	1283.00		NIST
Inp	1272.00		NIST
Inp	1273.00		NIST
Inp	1255.00		NIST
Inp	1263.00		NIST
Inp	1272.00		NIST
Inp	1273.00		NIST
Inp	1273.00		NIST
Inp	1273.00		NIST
Inp	1271.00		NIST
Inp	1275.00		NIST
Inp	1264.00		NIST
Inp	1271.00		NIST
Inp	1271.00		NIST
Inp	1280.00		NIST
Inp	1278.00		NIST
Inp	1269.00		NIST
Inp	1260.00		NIST
Inp	1261.00		NIST
Inp	1260.00		NIST
Inp	1256.00		NIST
Inp	1274.00		NIST
Inp	1280.00		NIST
Inp	1260.00		NIST
Inp	1308.00		NIST
Inp	1272.00		NIST
Inp	1272.00		NIST
Inp	1272.00		NIST
Inp	1273.00		NIST
Inp	1273.00		NIST
Inp	1277.00		NIST
Inp	1275.00		NIST
Inp	1237.00		NIST
Inp	1283.00		NIST
Inp	1275.00		NIST
Inp	1275.00		NIST
Inp	1280.00		NIST
Inp	1319.00		NIST
Inp	1278.00		NIST
Inp	1278.00		NIST
Inp	1282.00		NIST
Inp	1275.00		NIST
Inp	1280.00		NIST
Inp	1260.00		NIST
Inp	1288.00		NIST
Inp	1260.00		NIST
Inp	1273.00		NIST
Inp	1275.00		NIST
Inp	1272.00		NIST
Inp	1267.00		NIST
Inp	1269.00		NIST
Inp	1279.00		NIST
Inp	1280.00		NIST
Inp	1262.00		NIST
Inp	1248.00		NIST
Inp	1270.00		NIST
Inp	1262.00		NIST
Inp	1263.00		NIST
Inp	1271.00		NIST
Inp	1267.00		NIST
Inp	1270.00		NIST
Inp	1244.00		NIST
Inp	1278.00		NIST
Inp	1275.00		NIST
Inp	1226.00		NIST
Inp	1267.00		NIST
Inp	1266.00		NIST
Inp	1282.00		NIST
Inp	1279.00		NIST
Inp	1247.00		NIST
Inp	1239.00		NIST
Inp	1249.00		NIST
Inp	1271.00		NIST
Inp	1271.00		NIST
Inp	1308.00		NIST
Inp	1265.00		NIST
Inp	1275.00		NIST
Inp	1297.00		NIST
Inp	1265.00		NIST
Inp	1241.00		NIST
Inp	1280.00		NIST
Inp	1264.00		NIST
Inp	1264.00		NIST
Inp	1300.00		NIST
Inp	1265.00		NIST
Inp	1253.00		NIST
Inp	1270.00		NIST
Inp	1243.00		NIST
Inp	1279.00		NIST
Inp	1279.00		NIST
Inp	1285.00		NIST
Inp	1267.00		NIST
Inp	1276.00		NIST
Inp	Outlier 217.59		NIST
Inp	Outlier 214.30		NIST
Inp	1288.00		NIST
Inp	1302.00		NIST
Inp	1297.00		NIST
Inp	Outlier 217.59		NIST
Inp	1280.00		NIST
Inp	1290.00		NIST
Inp	1240.00		NIST
Inp	1281.00		NIST
Inp	1275.00		NIST
I	[2119.00; 2211.00]
I	2169.00		NIST
I	2171.00		NIST
I	2174.00		NIST
I	2174.00		NIST
I	2180.00		NIST
I	2144.00		NIST
I	2159.00		NIST
I	2193.00		NIST
I	2127.00		NIST
I	2173.00		NIST
I	2162.00		NIST
I	2124.00		NIST
I	2179.00		NIST
I	2144.00		NIST
I	2202.00		NIST
I	2173.00		NIST
I	2180.00		NIST
I	2149.00		NIST
I	2174.00		NIST
I	2135.00		NIST
I	2124.00		NIST
I	2194.00		NIST
I	2178.00		NIST
I	2181.00		NIST
I	2211.00		NIST
I	2166.00		NIST
I	2178.00		NIST
I	2181.00		NIST
I	2164.00		NIST
I	2164.00		NIST
I	2176.00		NIST
I	2128.00		NIST
I	2157.00		NIST
I	2157.00		NIST
I	2177.00		NIST
I	2132.00		NIST
I	2158.00		NIST
I	2158.00		NIST
I	2164.00		NIST
I	2157.00		NIST
I	2147.00		NIST
I	2130.00		NIST
I	2145.00		NIST
I	Outlier 2119.00		NIST
I	2174.00		NIST
I	2178.00		NIST
I	2152.00		NIST
I	2163.00		NIST
I	2173.00		NIST
I	2146.00		NIST
I	2181.00		NIST
I	2168.00		NIST
I	2168.00		NIST
I	2168.00		NIST
I	2153.00		NIST
I	2169.00		NIST
I	2170.00		NIST
I	2176.00		NIST
I	2180.00		NIST
I	2182.00		NIST
I	2198.00		NIST
I	2210.00		NIST
I	2176.00		NIST
I	2196.00		NIST
I	2211.00		NIST
I	2173.00		NIST
I	2165.00		NIST
I	2150.00		NIST
I	2192.00		NIST
I	2172.00		NIST
I	2173.00		NIST
I	2196.00		NIST
I	2155.00		NIST
I	2165.00		NIST
I	2149.00		NIST
I	2175.00		NIST
I	2167.00		NIST
I	2124.00		NIST
I	2153.00		NIST
I	2137.00		NIST
I	2130.00		NIST
I	2192.00		NIST
I	2192.00		NIST
I	2192.00		NIST
I	2192.00		NIST
I	2192.00		NIST
I	2165.00		NIST
I	2127.00		NIST
I	2180.00		NIST
I	2123.00		NIST
I	2127.00		NIST
I	2194.00		NIST
I	2131.00		NIST
I	2140.00		NIST
I	2200.00		NIST
I	2150.00		NIST
I	2192.00		NIST
I	2184.00		NIST
I	2168.00		NIST
I	2170.00		NIST
I	2157.00		NIST
I	2157.00		NIST
I	2190.00		NIST
I	2176.00		NIST
I	2138.00		NIST
I	2192.00		NIST
I	2165.00		NIST
I	2162.00		NIST
I	2186.00		NIST
I	2192.00		NIST
I	2173.00		NIST
I	2177.00		NIST
I	2192.00		NIST
I	2176.00		NIST
I	2138.00		NIST
I	2138.00		NIST
I	2192.00		NIST
I	2192.00		NIST
I	2124.00		NIST
I	2128.00		NIST
I	2192.00		NIST
I	2192.00		NIST
I	2192.00		NIST
I	2134.00		NIST
I	2173.00		NIST
I	2192.00		NIST
I	2192.00		NIST
I	2192.00		NIST
I	2192.00		NIST
I	2192.00		NIST
I	2192.00		NIST
I	2192.00		NIST
I	2192.00		NIST
I	2175.00		NIST
I	2161.00		NIST
I	2132.00		NIST
I	2188.00		NIST
I	2132.00		NIST
I	2182.00		NIST
I	2174.00		NIST
I	2193.00		NIST
I	2179.00		NIST
I	2149.00		NIST
I	2178.00		NIST
I	2181.00		NIST
I	2157.00		NIST
I	2150.00		NIST
I	2192.00		NIST
I	2173.00		NIST
I	2138.00		NIST
I	2132.00		NIST
I	2158.00		NIST
I	2130.00		NIST
I	2169.00		NIST
Tboil	[521.65; 533.15]	K
Tboil	528.20	K	NIST
Tboil	527.15 ± 3.00	K	NIST
Tboil	527.15 ± 1.50	K	NIST
Tboil	527.15 ± 2.00	K	NIST
Tboil	528.40 ± 3.00	K	NIST
Tboil	523.00 ± 5.00	K	NIST
Tboil	527.55 ± 1.00	K	NIST
Tboil	523.15 ± 3.00	K	NIST
Tboil	527.15 ± 2.00	K	NIST
Tboil	526.15 ± 3.00	K	NIST
Tboil	523.15 ± 3.00	K	NIST
Tboil	527.70 ± 3.00	K	NIST
Tboil	521.65 ± 4.00	K	NIST
Tboil	526.65 ± 3.00	K	NIST
Tboil	522.15 ± 5.00	K	NIST
Tboil	Outlier 533.15 ± 6.00	K	NIST
Tc	[709.58; 712.00]	K
Tc	712.00 ± 3.00	K	NIST
Tc	709.58 ± 3.00	K	NIST
Tfus	[283.75; 285.70]	K
Tfus	284.58	K	Aq. Solubility Prediction
Tfus	285.70 ± 0.05	K	NIST
Tfus	285.00 ± 1.50	K	NIST
Tfus	Outlier 283.75 ± 1.50	K	NIST
Tfus	285.50 ± 0.20	K	NIST
Tfus	285.70 ± 2.00	K	NIST
Tfus	285.70 ± 2.00	K	NIST
Ttriple	[285.53; 285.53]	K
Ttriple	285.53 ± 0.02	K	NIST
Ttriple	285.53 ± 0.02	K	NIST
Vc	0.562	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[333.90; 362.37]	J/mol×K	[298.15; 304.00]
Cp,liquid	362.37	J/mol×K	298.15	NIST
Cp,liquid	333.90	J/mol×K	304.00	NIST
ΔfusH	20.31	kJ/mol	285.50	NIST
ΔvapH	[64.20; 85.30]	kJ/mol	[302.50; 454.50]
ΔvapH	85.30 ± 2.00	kJ/mol	302.50	NIST
ΔvapH	64.20	kJ/mol	435.00	NIST
ΔvapH	76.90	kJ/mol	454.50	NIST
ρl	[798.00; 906.00]	kg/m3	[290.30; 427.90]
ρl	906.00	kg/m3	290.30	Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
ρl	893.80	kg/m3	308.00	Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
ρl	881.90	kg/m3	323.10	Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
ρl	870.10	kg/m3	338.10	Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
ρl	858.40	kg/m3	353.10	Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
ρl	846.70	kg/m3	368.00	Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
ρl	834.10	kg/m3	383.10	Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
ρl	822.30	kg/m3	398.10	Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
ρl	810.30	kg/m3	413.00	Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
ρl	798.00	kg/m3	427.90	Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[210.03; 494.43]	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			-6.93000e-01
Coefficient B			9.09620e-01
Coefficient C			-5.38400e-04
Coefficient D			1.23900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	210.03	J/mol×K	273.00	Calculated Property
Cp,gas	259.21	J/mol×K	353.78	Calculated Property
Cp,gas	303.08	J/mol×K	434.56	Calculated Property
Cp,gas	342.04	J/mol×K	515.33	Calculated Property
Cp,gas	376.47	J/mol×K	596.11	Calculated Property
Cp,gas	406.76	J/mol×K	676.89	Calculated Property
Cp,gas	433.31	J/mol×K	757.67	Calculated Property
Cp,gas	456.51	J/mol×K	838.44	Calculated Property
Cp,gas	476.75	J/mol×K	919.22	Calculated Property
Cp,gas	494.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0062466; 0.0003508]	Pa×s	[285.36; 497.55]	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			-1.18279e+01
Coefficient B			1.92682e+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.			285.36
Temperature range, max.			497.55
η	0.0062466	Pa×s	285.36	Calculated Property
η	0.0037313	Pa×s	308.94	Calculated Property
η	0.0023978	Pa×s	332.52	Calculated Property
η	0.0016337	Pa×s	356.09	Calculated Property
η	0.0011675	Pa×s	379.67	Calculated Property
η	0.0008677	Pa×s	403.25	Calculated Property
η	0.0006664	Pa×s	426.82	Calculated Property
η	0.0005262	Pa×s	450.40	Calculated Property
η	0.0004253	Pa×s	473.98	Calculated Property
η	0.0003508	Pa×s	497.55	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[409.25; 555.23]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.56017e+01
Coefficient B			-4.57898e+03
Coefficient C			-1.10247e+02
Temperature range, min.			409.25
Temperature range, max.			555.23
Pvap	1.33	kPa	409.25	Calculated Property
Pvap	2.93	kPa	425.47	Calculated Property
Pvap	5.97	kPa	441.69	Calculated Property
Pvap	11.37	kPa	457.91	Calculated Property
Pvap	20.45	kPa	474.13	Calculated Property
Pvap	34.99	kPa	490.35	Calculated Property
Pvap	57.28	kPa	506.57	Calculated Property
Pvap	90.22	kPa	522.79	Calculated Property
Pvap	137.30	kPa	539.01	Calculated Property
Pvap	202.64	kPa	555.23	Calculated Property
Pvap	[3.06e-05; 2443.01]	kPa	[285.55; 703.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			2.17697e+02
Coefficient B			-1.88791e+04
Coefficient C			-2.88174e+01
Coefficient D			1.18731e-05
Coefficient E			0.00000e+00
Temperature range, min.			285.55
Temperature range, max.			703.00
Pvap	3.06e-05	kPa	285.55	Calculated Property
Pvap	5.77e-03	kPa	331.93	Calculated Property
Pvap	0.21	kPa	378.32	Calculated Property
Pvap	2.72	kPa	424.70	Calculated Property
Pvap	17.88	kPa	471.08	Calculated Property
Pvap	74.73	kPa	517.47	Calculated Property
Pvap	229.70	kPa	563.85	Calculated Property
Pvap	572.61	kPa	610.23	Calculated Property
Pvap	1239.13	kPa	656.62	Calculated Property
Pvap	2443.01	kPa	703.00	Calculated Property
Pvap	[1.32; 8.80]	kPa	[410.00; 450.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.04689e+01
Coefficient B			-1.78127e+03
Coefficient C			-2.35239e+02
Reference			Kahlbaum, 1894
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			410.00
Temperature range, max.			450.00
Pvap	1.32	kPa	410.00	Calculated Property
Pvap	1.70	kPa	414.44	Calculated Property
Pvap	2.16	kPa	418.89	Calculated Property
Pvap	2.72	kPa	423.33	Calculated Property
Pvap	3.38	kPa	427.78	Calculated Property
Pvap	4.16	kPa	432.22	Calculated Property
Pvap	5.08	kPa	436.67	Calculated Property
Pvap	6.15	kPa	441.11	Calculated Property
Pvap	7.39	kPa	445.56	Calculated Property
Pvap	8.80	kPa	450.00	Calculated Property

Similar Compounds

Find more compounds similar to Nonanoic acid.

Mixtures

• Carbon dioxide + Nonanoic acid

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
• Solubility of Small-Chain Carboxylic Acids in Supercritical Carbon Dioxide
• Solubility of Nonanoic (Pelargonic) Acid in Supercritical Carbon Dioxide
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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