Chemical Properties of Heptanoic acid (CAS 111-14-8)

InChI

InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)

InChI Key

MNWFXJYAOYHMED-UHFFFAOYSA-N

Formula

C7H14O2

SMILES

CCCCCCC(=O)O

Molecular Weight¹

130.18

CAS

111-14-8

Other Names

• 1-Heptanoic acid
• 1-Hexanecarboxylic acid
• Enanthylic acid
• Hepthlic acid
• Heptoic acid
• Hexacid C-7
• N-OENANTHIC ACID
• NSC 2192
• Oenanthic acid
• Oenanthylic acid
• enanthic acid
• heptylic acid
• n-Heptanoic acid
• n-Heptoic acid
• n-Heptylic 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).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.7228		Relay (1.0) Calculated Property
ΔcH°liquid	[-4146.90; -4144.00]	kJ/mol
ΔcH°liquid	-4146.90 ± 0.90	kJ/mol	NIST
ΔcH°liquid	-4144.00 ± 0.59	kJ/mol	NIST
ΔfG°	-335.85	kJ/mol	Joback Calculated Property
ΔfH°gas	[-539.50; -536.50]	kJ/mol
ΔfH°gas	-536.50 ± 1.70	kJ/mol	NIST
ΔfH°gas	-539.50 ± 1.60	kJ/mol	NIST
ΔfH°gas	-539.50 ± 1.60	kJ/mol	NIST
ΔfH°liquid	[-611.49; -608.50]	kJ/mol
ΔfH°liquid	-608.50 ± 0.90	kJ/mol	NIST
ΔfH°liquid	-611.49 ± 0.59	kJ/mol	NIST
ΔfusH°	24.03	kJ/mol	Joback Calculated Property
ΔvapH°	[72.00; 75.70]	kJ/mol
ΔvapH°	72.90 ± 0.80	kJ/mol	NIST
ΔvapH°	75.70	kJ/mol	NIST
ΔvapH°	72.00 ± 1.50	kJ/mol	NIST
ΔvapH°	72.00 ± 1.50	kJ/mol	NIST
IE	10.18	eV	Relay (1.0) Calculated Property
log10WS	-1.80		Relay (1.0) Calculated Property
logPoct/wat	2.041		Crippen Calculated Property
McVol	116.930	ml/mol	McGowan Calculated Property
Pc	[2829.63; 3161.00]	kPa
Pc	3161.00 ± 80.00	kPa	NIST
Pc	2880.00 ± 100.00	kPa	NIST
Pc	2829.63 ± 90.00	kPa	NIST
Inp	[176.75; 1112.00]
Inp	1083.00		NIST
Inp	1065.00		NIST
Inp	1083.00		NIST
Inp	1078.00		NIST
Inp	1076.00		NIST
Inp	1078.00		NIST
Inp	1091.00		NIST
Inp	1068.00		NIST
Inp	1071.00		NIST
Inp	1080.00		NIST
Inp	1083.00		NIST
Inp	1074.00		NIST
Inp	1103.00		NIST
Inp	1073.00		NIST
Inp	1076.00		NIST
Inp	1109.00		NIST
Inp	1062.00		NIST
Inp	1085.00		NIST
Inp	1085.00		NIST
Inp	1063.00		NIST
Inp	1112.00		NIST
Inp	1098.00		NIST
Inp	1078.00		NIST
Inp	1097.00		NIST
Inp	1051.00		NIST
Inp	1091.00		NIST
Inp	1092.00		NIST
Inp	1064.00		NIST
Inp	1091.00		NIST
Inp	1098.00		NIST
Inp	1083.00		NIST
Inp	1073.00		NIST
Inp	1073.00		NIST
Inp	1078.00		NIST
Inp	1073.00		NIST
Inp	1108.00		NIST
Inp	1065.00		NIST
Inp	1076.00		NIST
Inp	1049.00		NIST
Inp	1067.00		NIST
Inp	1083.00		NIST
Inp	1069.00		NIST
Inp	1078.00		NIST
Inp	1078.00		NIST
Inp	1080.00		NIST
Inp	1070.00		NIST
Inp	Outlier 176.75		NIST
Inp	Outlier 177.80		NIST
Inp	Outlier 176.75		NIST
I	[1900.00; 2000.00]
I	1960.00		NIST
I	1930.00		NIST
I	1946.00		NIST
I	1950.00		NIST
I	1967.00		NIST
I	1918.00		NIST
I	1971.00		NIST
I	1947.00		NIST
I	1918.00		NIST
I	1956.00		NIST
I	1965.00		NIST
I	1968.00		NIST
I	Outlier 1997.00		NIST
I	1965.00		NIST
I	1966.00		NIST
I	1965.00		NIST
I	1954.00		NIST
I	1953.00		NIST
I	1953.00		NIST
I	1943.00		NIST
I	1950.00		NIST
I	1916.00		NIST
I	1939.00		NIST
I	1946.00		NIST
I	1936.00		NIST
I	1958.00		NIST
I	1915.00		NIST
I	1934.00		NIST
I	1927.00		NIST
I	1924.00		NIST
I	1932.00		NIST
I	1962.00		NIST
I	1962.00		NIST
I	1986.00		NIST
I	1988.00		NIST
I	1927.00		NIST
I	1949.00		NIST
I	1934.00		NIST
I	1970.00		NIST
I	1968.00		NIST
I	1955.00		NIST
I	1976.00		NIST
I	1972.00		NIST
I	1962.00		NIST
I	Outlier 2000.00		NIST
I	1963.00		NIST
I	1952.00		NIST
I	1957.00		NIST
I	1957.00		NIST
I	1981.00		NIST
I	1958.00		NIST
I	1962.00		NIST
I	Outlier 1904.00		NIST
I	Outlier 1900.00		NIST
I	1941.00		NIST
I	1950.00		NIST
I	1935.00		NIST
I	Outlier 1900.00		NIST
I	1923.00		NIST
I	1933.00		NIST
I	1930.00		NIST
I	1925.00		NIST
I	1950.00		NIST
I	1956.00		NIST
I	1936.00		NIST
I	1966.00		NIST
I	1965.00		NIST
I	1975.00		NIST
I	1963.00		NIST
I	1990.00		NIST
I	1952.00		NIST
I	1950.00		NIST
I	1955.00		NIST
I	1976.00		NIST
I	1924.00		NIST
I	1928.00		NIST
I	1913.00		NIST
I	1918.00		NIST
I	1977.00		NIST
I	1925.00		NIST
I	1942.00		NIST
I	1963.00		NIST
I	1916.00		NIST
I	1935.00		NIST
I	1952.00		NIST
I	1928.00		NIST
I	1942.00		NIST
I	1960.00		NIST
I	1918.00		NIST
I	1965.00		NIST
I	1950.00		NIST
I	1946.00		NIST
I	1927.00		NIST
I	1932.00		NIST
I	1955.00		NIST
I	1963.00		NIST
I	1958.00		NIST
I	1930.00		NIST
I	1966.00		NIST
S°liquid	323.35	J/mol×K	NIST
Tboil	[491.65; 497.15]	K
Tboil	496.20	K	NIST
Tboil	496.65 ± 1.50	K	NIST
Tboil	495.05 ± 1.00	K	NIST
Tboil	496.65 ± 2.00	K	NIST
Tboil	493.15 ± 2.00	K	NIST
Tboil	495.15 ± 1.00	K	NIST
Tboil	Outlier 492.15 ± 2.00	K	NIST
Tboil	496.15 ± 0.60	K	NIST
Tboil	496.16 ± 0.40	K	NIST
Tboil	497.15 ± 1.50	K	NIST
Tboil	495.60 ± 0.70	K	NIST
Tboil	495.15 ± 2.00	K	NIST
Tboil	496.15 ± 2.00	K	NIST
Tboil	496.15 ± 2.00	K	NIST
Tboil	494.65 ± 2.00	K	NIST
Tboil	493.65 ± 2.00	K	NIST
Tboil	496.65 ± 3.00	K	NIST
Tboil	494.45 ± 2.00	K	NIST
Tboil	Outlier 491.65 ± 4.00	K	NIST
Tboil	495.70 ± 2.00	K	NIST
Tboil	496.15 ± 1.50	K	NIST
Tboil	495.40 ± 1.50	K	NIST
Tboil	496.40 ± 3.00	K	NIST
Tc	[677.80; 683.52]	K
Tc	677.80 ± 2.00	K	NIST
Tc	679.00 ± 1.00	K	NIST
Tc	683.52 ± 3.00	K	NIST
Tfus	[263.00; 266.00]	K
Tfus	266.00 ± 0.05	K	NIST
Tfus	265.69 ± 0.30	K	NIST
Tfus	266.00 ± 2.00	K	NIST
Tfus	263.00 ± 2.00	K	NIST
Tfus	264.00 ± 2.00	K	NIST
Ttriple	[265.83; 265.83]	K
Ttriple	265.83 ± 0.02	K	NIST
Ttriple	265.83 ± 0.02	K	NIST
Vc	0.448	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[267.96; 326.62]	J/mol×K	[505.27; 692.25]
Cp,gas	267.96	J/mol×K	505.27	Joback Calculated Property
Cp,gas	278.98	J/mol×K	536.43	Joback Calculated Property
Cp,gas	289.48	J/mol×K	567.60	Joback Calculated Property
Cp,gas	299.47	J/mol×K	598.76	Joback Calculated Property
Cp,gas	308.98	J/mol×K	629.92	Joback Calculated Property
Cp,gas	318.03	J/mol×K	661.08	Joback Calculated Property
Cp,gas	326.62	J/mol×K	692.25	Joback Calculated Property
Cp,liquid	[265.43; 267.31]	J/mol×K	[298.15; 298.15]
Cp,liquid	267.31	J/mol×K	298.15	NIST
Cp,liquid	265.43	J/mol×K	298.15	NIST
η	[0.0002790; 0.0017558]	Pa×s	[329.25; 505.27]
η	0.0017558	Pa×s	329.25	Joback Calculated Property
η	0.0011399	Pa×s	358.59	Joback Calculated Property
η	0.0007900	Pa×s	387.92	Joback Calculated Property
η	0.0005765	Pa×s	417.26	Joback Calculated Property
η	0.0004385	Pa×s	446.60	Joback Calculated Property
η	0.0003449	Pa×s	475.93	Joback Calculated Property
η	0.0002790	Pa×s	505.27	Joback Calculated Property
ΔfusH	15.44	kJ/mol	265.80	NIST
ΔvapH	[68.30; 76.00]	kJ/mol	[266.00; 433.00]
ΔvapH	76.00	kJ/mol	266.00	NIST
ΔvapH	72.50 ± 0.80	kJ/mol	305.50	NIST
ΔvapH	68.30	kJ/mol	423.00	NIST
ΔvapH	69.00	kJ/mol	433.00	NIST
Pvap	[4.70; 27.67]	kPa	[413.48; 453.80]
Pvap	4.70	kPa	413.48	Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
Pvap	8.63	kPa	426.48	Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
Pvap	12.56	kPa	435.07	Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
Pvap	16.57	kPa	441.33	Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
Pvap	20.63	kPa	446.40	Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
Pvap	24.65	kPa	451.00	Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
Pvap	27.67	kPa	453.80	Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
n0	[1.41720; 1.41750]		[293.15; 295.10]
n0	1.41720		293.15	Vapour-liquid equilibrium of propionic acid + caproic acid, isobutyric acid + caproic acid, valeric acid + caproic acid and caproic acid + enanthoic acid binary mixtures
n0	1.41750		295.10	Ternary Liquid-Liquid Equilibria of Acetonitrile and Water with Heptanoic Acid and Nonanol at 323.15 K and 1 atm
ρl	[803.40; 920.60]	kg/m3	[290.30; 427.70]
ρl	920.60	kg/m3	290.30	Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
ρl	917.65	kg/m3	293.15	Influence of alkyl group and temperature on thermophysical properties of carboxylic acid and their binary mixtures
ρl	917.70	kg/m3	293.15	Effect of temperature on density, sound velocity, refractive index and their derived properties for the binary systems (heptanoic acid + propanoic or butanoic acids)
ρl	913.47	kg/m3	298.15	Influence of alkyl group and temperature on thermophysical properties of carboxylic acid and their binary mixtures
ρl	918.00	kg/m3	298.15	Physico-Chemical Properties of Non-Newtonian Shear Thickening Diisopropyl-ethylammonium-Based Protic Ionic Liquids and Their Mixtures with Water and Acetonitrile
ρl	913.50	kg/m3	298.15	Effect of temperature on density, sound velocity, refractive index and their derived properties for the binary systems (heptanoic acid + propanoic or butanoic acids)
ρl	909.30	kg/m3	303.15	Effect of temperature on density, sound velocity, refractive index and their derived properties for the binary systems (heptanoic acid + propanoic or butanoic acids)
ρl	909.29	kg/m3	303.15	Influence of alkyl group and temperature on thermophysical properties of carboxylic acid and their binary mixtures
ρl	905.70	kg/m3	308.00	Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
ρl	905.11	kg/m3	308.15	Influence of alkyl group and temperature on thermophysical properties of carboxylic acid and their binary mixtures
ρl	905.10	kg/m3	308.15	Effect of temperature on density, sound velocity, refractive index and their derived properties for the binary systems (heptanoic acid + propanoic or butanoic acids)
ρl	900.94	kg/m3	313.15	Influence of alkyl group and temperature on thermophysical properties of carboxylic acid and their binary mixtures
ρl	900.90	kg/m3	313.15	Effect of temperature on density, sound velocity, refractive index and their derived properties for the binary systems (heptanoic acid + propanoic or butanoic acids)
ρl	893.00	kg/m3	323.10	Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
ρl	880.40	kg/m3	338.10	Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
ρl	867.80	kg/m3	353.10	Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
ρl	855.40	kg/m3	367.10	Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
ρl	842.30	kg/m3	383.20	Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
ρl	829.40	kg/m3	397.90	Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
ρl	816.60	kg/m3	412.90	Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
ρl	803.40	kg/m3	427.70	Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[385.47; 521.65]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49666e+01
Coefficient B			-3.84187e+03
Coefficient C			-1.23742e+02
Temperature range, min.			385.47
Temperature range, max.			521.65
Pvap	1.33	kPa	385.47	Calculated Property
Pvap	2.97	kPa	400.60	Calculated Property
Pvap	6.10	kPa	415.73	Calculated Property
Pvap	11.67	kPa	430.86	Calculated Property
Pvap	21.00	kPa	445.99	Calculated Property
Pvap	35.85	kPa	461.13	Calculated Property
Pvap	58.45	kPa	476.26	Calculated Property
Pvap	91.53	kPa	491.39	Calculated Property
Pvap	138.35	kPa	506.52	Calculated Property
Pvap	202.64	kPa	521.65	Calculated Property
Pvap	[6.40e-06; 3122.82]	kPa	[265.83; 680.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			3.31594e+02
Coefficient B			-2.35518e+04
Coefficient C			-4.59654e+01
Coefficient D			2.35250e-05
Temperature range, min.			265.83
Temperature range, max.			680.00
Pvap	6.40e-06	kPa	265.83	Calculated Property
Pvap	3.70e-03	kPa	311.85	Calculated Property
Pvap	0.23	kPa	357.87	Calculated Property
Pvap	3.58	kPa	403.89	Calculated Property
Pvap	24.61	kPa	449.91	Calculated Property
Pvap	100.33	kPa	495.92	Calculated Property
Pvap	294.66	kPa	541.94	Calculated Property
Pvap	709.25	kPa	587.96	Calculated Property
Pvap	1526.73	kPa	633.98	Calculated Property
Pvap	3122.82	kPa	680.00	Calculated Property

Similar Compounds

Find more compounds similar to Heptanoic acid.

Mixtures

• Heptanoic acid + Propanoic acid
• Heptanoic acid + Butanoic acid
• Heptanoic acid + Hexanoic acid
• Heptanoic acid + Pentanoic acid
• Acetonitrile + Heptanoic acid + Water
• Carbon dioxide + Heptanoic acid

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapour-liquid equilibrium of propionic acid + caproic acid, isobutyric acid + caproic acid, valeric acid + caproic acid and caproic acid + enanthoic acid binary mixtures
• Effect of temperature on density, sound velocity, refractive index and their derived properties for the binary systems (heptanoic acid + propanoic or butanoic acids)
• Influence of alkyl group and temperature on thermophysical properties of carboxylic acid and their binary mixtures
• Density, Viscosity, and Thermal Conductivity of Eight Carboxylic Acids from (290.3 to 473.4) K
• Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
• Solubility of Small-Chain Carboxylic Acids in Supercritical Carbon Dioxide
• Physico-Chemical Properties of Non-Newtonian Shear Thickening Diisopropyl-ethylammonium-Based Protic Ionic Liquids and Their Mixtures with Water and Acetonitrile
• Ternary Liquid-Liquid Equilibria of Acetonitrile and Water with Heptanoic Acid and Nonanol at 323.15 K and 1 atm
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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