Chemical Properties of Ethyl formate (CAS 109-94-4)

InChI

InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3

InChI Key

WBJINCZRORDGAQ-UHFFFAOYSA-N

Formula

C3H6O2

SMILES

CCOC=O

Molecular Weight¹

74.08

CAS

109-94-4

Other Names

• Aethylformiat
• Areginal
• Ethyl ester of formic acid
• Ethyl methanoate
• Ethyle (formiate d')
• Ethylester kyseliny mravenci
• Ethylformiaat
• Ethylformic ester
• Etile (formiato di)
• Formic acid, ethyl ester
• Formic ether
• HCOOC2H5
• Mrowczan etylu
• NSC 406578
• UN 1190
• methanoic acid, ethyl ester

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• 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_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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_c : Critical density (kg/m³).
• 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).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2850		KDB
PAff	799.40	kJ/mol	NIST
BasG	768.40	kJ/mol	NIST
μ	2.00	debye	KDB
η	0.0004000	Pa×s	Densiti...
ΔfG°	-230.14	kJ/mol	Joback Calculated Property
ΔfH°gas	[-398.00; -361.70]	kJ/mol
ΔfH°gas	-371.50	kJ/mol	KDB
ΔfH°gas	-361.70	kJ/mol	NIST
ΔfH°gas	-398.00	kJ/mol	NIST
ΔfH°liquid	[-430.50; -394.20]	kJ/mol
ΔfH°liquid	-394.20 ± 0.80	kJ/mol	NIST
ΔfH°liquid	-430.50	kJ/mol	NIST
ΔfusH°	7.00	kJ/mol	Joback Calculated Property
ΔvapH°	[30.10; 32.50]	kJ/mol
ΔvapH°	32.11	kJ/mol	NIST
ΔvapH°	32.20	kJ/mol	NIST
ΔvapH°	32.50	kJ/mol	NIST
ΔvapH°	30.10 ± 0.01	kJ/mol	NIST
IE	[10.61; 10.62]	eV
IE	10.61 ± 0.01	eV	NIST
IE	10.61 ± 0.05	eV	NIST
IE	10.61 ± 0.05	eV	NIST
IE	Outlier 10.62	eV	NIST
IE	10.61 ± 0.01	eV	NIST
IE	10.61	eV	NIST
log10WS	[0.15; 0.15]
log10WS	0.15		Aq. Sol...
log10WS	0.15		Estimat...
logPoct/wat	0.179		Crippen Calculated Property
McVol	60.570	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
NFPA Health	2		KDB
Pc	[4737.00; 4981.00]	kPa
Pc	4740.00	kPa	KDB
Pc	4738.00 ± 101.32	kPa	NIST
Pc	4737.00 ± 40.00	kPa	NIST
Pc	4981.00 ± 202.65	kPa	NIST
Pc	4930.00 ± 202.65	kPa	NIST
ρc	[314.83; 323.20]	kg/m3
ρc	323.20 ± 5.19	kg/m3	NIST
ρc	323.20 ± 3.70	kg/m3	NIST
ρc	314.83 ± 5.93	kg/m3	NIST
Inp	[455.00; 545.00]
Inp	457.00		NIST
Inp	501.00		NIST
Inp	463.00		NIST
Inp	474.00		NIST
Inp	465.00		NIST
Inp	469.00		NIST
Inp	468.00		NIST
Inp	495.00		NIST
Inp	456.00		NIST
Inp	487.00		NIST
Inp	455.00		NIST
Inp	468.00		NIST
Inp	495.00		NIST
Inp	481.00		NIST
Inp	530.00		NIST
Inp	481.00		NIST
Inp	530.00		NIST
Inp	502.00		NIST
Inp	504.00		NIST
Inp	502.00		NIST
Inp	478.00		NIST
Inp	500.00		NIST
Inp	530.00		NIST
Inp	495.00		NIST
Inp	510.00		NIST
Inp	495.00		NIST
Inp	530.00		NIST
Inp	495.00		NIST
Inp	487.00		NIST
Inp	521.00		NIST
Inp	502.00		NIST
Inp	502.00		NIST
Inp	521.00		NIST
Inp	Outlier 545.00		NIST
Inp	502.00		NIST
Inp	501.00		NIST
Inp	495.00		NIST
Inp	487.00		NIST
Inp	Outlier 545.00		NIST
Inp	481.00		NIST
Inp	502.00		NIST
I	[800.00; 849.10]
I	842.00		NIST
I	820.00		NIST
I	847.00		NIST
I	832.00		NIST
I	825.00		NIST
I	825.00		NIST
I	848.00		NIST
I	837.00		NIST
I	822.00		NIST
I	849.10		NIST
I	820.00		NIST
I	814.00		NIST
I	811.00		NIST
I	821.00		NIST
I	834.00		NIST
I	820.00		NIST
I	800.00		NIST
I	825.00		NIST
I	806.00		NIST
I	804.00		NIST
I	830.00		NIST
I	806.00		NIST
I	810.00		NIST
I	822.00		NIST
I	823.00		NIST
I	849.10		NIST
Tboil	[325.85; 328.15]	K
Tboil	327.50	K	KDB
Tboil	327.33	K	Solutio...
Tboil	327.29	K	Isobari...
Tboil	327.33	K	Isobari...
Tboil	327.32	K	Isobari...
Tboil	327.45 ± 0.40	K	NIST
Tboil	Outlier 326.20	K	NIST
Tboil	327.70	K	NIST
Tboil	327.50	K	NIST
Tboil	327.15 ± 0.30	K	NIST
Tboil	327.35 ± 0.20	K	NIST
Tboil	327.65 ± 2.00	K	NIST
Tboil	327.45 ± 1.00	K	NIST
Tboil	327.45 ± 2.00	K	NIST
Tboil	327.30 ± 0.40	K	NIST
Tboil	327.30 ± 0.50	K	NIST
Tboil	327.15 ± 2.00	K	NIST
Tboil	Outlier 326.35 ± 1.00	K	NIST
Tboil	327.30 ± 0.20	K	NIST
Tboil	327.40 ± 0.60	K	NIST
Tboil	327.00 ± 2.00	K	NIST
Tboil	Outlier 325.85 ± 2.00	K	NIST
Tboil	327.30 ± 0.50	K	NIST
Tboil	327.30 ± 0.50	K	NIST
Tboil	327.30 ± 0.50	K	NIST
Tboil	326.55 ± 1.00	K	NIST
Tboil	327.45 ± 2.00	K	NIST
Tboil	327.20 ± 0.30	K	NIST
Tboil	327.45 ± 0.50	K	NIST
Tboil	327.50 ± 0.50	K	NIST
Tboil	326.65 ± 2.00	K	NIST
Tboil	327.47 ± 0.50	K	NIST
Tboil	327.10 ± 2.00	K	NIST
Tboil	328.00 ± 2.00	K	NIST
Tboil	327.35 ± 2.00	K	NIST
Tboil	328.15 ± 2.00	K	NIST
Tboil	328.05 ± 2.00	K	NIST
Tboil	328.05 ± 2.00	K	NIST
Tc	[503.20; 511.80]	K
Tc	508.50	K	KDB
Tc	508.40	K	NIST
Tc	508.50 ± 1.00	K	NIST
Tc	508.50 ± 1.00	K	NIST
Tc	506.30 ± 2.00	K	NIST
Tc	511.80 ± 2.00	K	NIST
Tc	503.20 ± 4.00	K	NIST
Tfus	[192.65; 193.75]	K
Tfus	192.75	K	Aq. Sol...
Tfus	193.50	K	KDB
Tfus	193.55 ± 0.50	K	NIST
Tfus	193.00 ± 2.00	K	NIST
Tfus	193.75 ± 0.40	K	NIST
Tfus	192.65 ± 0.30	K	NIST
Vc	0.229	m3/kmol	KDB
Zc	0.2567360		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[101.20; 129.73]	J/mol×K	[339.12; 513.09]
Cp,gas	101.20	J/mol×K	339.12	Joback Calculated Property
Cp,gas	106.21	J/mol×K	368.11	Joback Calculated Property
Cp,gas	111.13	J/mol×K	397.11	Joback Calculated Property
Cp,gas	115.94	J/mol×K	426.10	Joback Calculated Property
Cp,gas	120.65	J/mol×K	455.10	Joback Calculated Property
Cp,gas	125.25	J/mol×K	484.09	Joback Calculated Property
Cp,gas	129.73	J/mol×K	513.09	Joback Calculated Property
Cp,liquid	[144.30; 158.20]	J/mol×K	[290.00; 298.15]
Cp,liquid	158.20	J/mol×K	290.00	NIST
Cp,liquid	148.10	J/mol×K	294.70	NIST
Cp,liquid	148.10	J/mol×K	294.70	NIST
Cp,liquid	144.30	J/mol×K	298.15	NIST
η	[0.0003000; 0.0004020]	Pa×s	[293.15; 323.15]
η	0.0004020	Pa×s	293.15	Density...
η	0.0003810	Pa×s	298.15	Density...
η	0.0003660	Pa×s	303.15	Viscosi...
η	0.0003620	Pa×s	303.15	Density...
η	0.0003730	Pa×s	303.15	Physica...
η	0.0003450	Pa×s	308.15	Density...
η	0.0003450	Pa×s	308.15	Physica...
η	0.0003390	Pa×s	313.15	Viscosi...
η	0.0003290	Pa×s	313.15	Density...
η	0.0003240	Pa×s	313.15	Physica...
η	0.0003140	Pa×s	318.15	Density...
η	0.0003000	Pa×s	323.15	Density...
ΔvapH	[29.80; 35.80]	kJ/mol	[274.50; 412.50]
ΔvapH	35.80	kJ/mol	274.50	NIST
ΔvapH	31.60 ± 0.10	kJ/mol	304.00	NIST
ΔvapH	31.40	kJ/mol	313.00	NIST
ΔvapH	30.90 ± 0.10	kJ/mol	313.00	NIST
ΔvapH	29.91	kJ/mol	327.50	NIST
ΔvapH	29.80 ± 0.10	kJ/mol	328.00	NIST
ΔvapH	29.90	kJ/mol	412.50	NIST
Pvap	101.32	kPa	327.33	Isobari...
n0	[1.35520; 1.35800]		[298.15; 303.15]
n0	1.35800		298.15	Thermod...
n0	1.35520		303.15	Excess ...
ρl	[876.00; 927.00]	kg/m3	[289.00; 323.15]
ρl	927.00	kg/m3	289.00	KDB
ρl	923.40	kg/m3	291.15	Experim...
ρl	916.60	kg/m3	293.15	Densiti...
ρl	914.35	kg/m3	298.15	Experim...
ρl	910.10	kg/m3	298.15	Densiti...
ρl	903.60	kg/m3	303.15	Densiti...
ρl	897.10	kg/m3	308.15	Densiti...
ρl	890.50	kg/m3	313.15	Densiti...
ρl	883.00	kg/m3	318.15	Densiti...
ρl	876.00	kg/m3	323.15	Densiti...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 4887.31]	kPa	[240.08; 508.40]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46571e+01
Coefficient B			-2.89533e+03
Coefficient C			-3.85850e+01
Temperature range, min.			240.08
Temperature range, max.			508.40
Pvap	1.33	kPa	240.08	Calculated Property
Pvap	8.50	kPa	269.89	Calculated Property
Pvap	35.48	kPa	299.71	Calculated Property
Pvap	110.53	kPa	329.52	Calculated Property
Pvap	278.75	kPa	359.33	Calculated Property
Pvap	600.63	kPa	389.15	Calculated Property
Pvap	1147.48	kPa	418.96	Calculated Property
Pvap	1995.33	kPa	448.77	Calculated Property
Pvap	3219.01	kPa	478.59	Calculated Property
Pvap	4887.31	kPa	508.40	Calculated Property
Pvap	[0.02; 4690.28]	kPa	[193.55; 508.40]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			6.34086e+01
Coefficient B			-5.70647e+03
Coefficient C			-7.24275e+00
Coefficient D			5.41841e-06
Temperature range, min.			193.55
Temperature range, max.			508.40
Pvap	0.02	kPa	193.55	Calculated Property
Pvap	0.54	kPa	228.53	Calculated Property
Pvap	5.80	kPa	263.52	Calculated Property
Pvap	33.10	kPa	298.50	Calculated Property
Pvap	124.22	kPa	333.48	Calculated Property
Pvap	349.77	kPa	368.47	Calculated Property
Pvap	803.96	kPa	403.45	Calculated Property
Pvap	1596.30	kPa	438.43	Calculated Property
Pvap	2847.13	kPa	473.42	Calculated Property
Pvap	4690.28	kPa	508.40	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl formate.

Mixtures

• Ethyl formate + Pentane
• Ethyl formate + Heptane
• Ethyl formate + Octane
• Ethyl formate + Nonane
• Ethyl formate + Ethane, 1,2-dichloro-
• Ethyl formate + Propane, 1,3-dichloro-
• Ethyl formate + Butane, 1,4-dichloro-
• Ethyl formate + Pentane, 1,5-dichloro-
• Ethyl formate + Hexane, 1,6-dichloro-
• Ethyl formate + Ethane, 1,2-dibromo-
• Ethyl formate + Propane, 1,3-dibromo-
• Ethyl formate + Butane, 1,4-dibromo-
• Ethyl formate + Pentane, 1,5-dibromo-
• Ethyl formate + Hexane, 1,6-dibromo-
• Ethyl formate + 1H-Benzotriazole
• Ethyl formate + Benzenesulfonamide
• Ethyl formate + Benzenesulfonamide, 2-methyl-
• 2-Propanol, 2-methyl- + Ethyl formate
• Ethyl formate + o-Xylene
• Ethyl formate + Benzene, 1,3-dimethyl-

Find more mixtures with Ethyl formate.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Excess properties and isobaric vapor liquid equilibria for four binary systems of alkyl (methyl to butyl) methanoates with decane
• Determination and correlation of solubilities of 1,2-bis(2-oxo-5,5-dimethyl-1,3,2-dioxyphosphacyclohexyl-2-imino) ethane in selected solvents
• Experimentation and thermodynamic representations of binaries containing compounds of low boiling points: Pentane and alkylmethanoates
• Solutions of alkyl methanoates and alkanes: Simultaneous modeling of phase equilibria and mixing properties. Estimation of behavior by UNIFAC with recalculation of parameters
• Solubility, liquid-liquid equilibrium and critical states for the quaternary system formic acid - ethanol - ethyl formate - water at 298.15 K and 308.15 K
• Thermodynamic study of (alkyl esters + a,x-alkyl dihalides) I: HE and V E for 25 binary mixtures {xCu-1H2u-1CO2C2H5 + (1-x)a,x-ClCH2(CH2)v-2CH2Cl}, where u = 1 to 5, a = 1 and v = x = 2 to 6
• Excess molar enthalpies of ethylformate and (1-propanol, 2-propanol, 1-butanol, 2-butanol, and 1-pentanol) at T = (298.15 and 308.15) K and p = (5 and 10) MPa
• Thermodynamic study of (alkyl esters + a,x-alkyl dihalides) II: HE m and V E m for 25 binary mixtures {xCu-1H2u-1CO2C2H5 + (1 - x)a,x-BrCH2(CH2)v-2CH2Br}, where u = 1 to 5, a = 1 and v = x = 2 to 6
• Thermodynamic study of (alkyl esters + a,x-alkyl dihalides) V. Hex and Vex for 25 binary mixtures {xCu-1H2u-1CO2CH3 + (1-x)a,x-ClCH2(CH2)v-2CH2Cl}, where u = 1 to 5, a = 1 and v = x = 2 to 6
• Measurement and correlation of the solubility of 2,3,4,5-tetrabromothiophene in different solvents
• Solid Liquid Phase Equilibrium of N,N'-Piperazinebis(neopentylglycol)phosphoramidate in Selected Solvents from T = (293.15 to 333.15) K
• Measurement and Correlation of Solubility of Resorcinol Bis(cyclic 2,2-dimethyl-1,3-propanediol phosphate) in Selected Solvents from T = 293.15 to 333.15 K
• Solution Thermodynamics of Benzotriazole in Different Pure Solvents
• Solubility Determination, Modeling, and Thermodynamic Dissolution Properties of Benzenesulfonamide in 16 Neat Solvents from 273.15 to 324.45 K
• Solubility Measurement and Thermodynamic Modeling for o-Toluenesulfonamide in 16 Solvents from T = 273.15 to 323.85 K
• Isobaric Vapor-Liquid Equilibria and Excess Quantities for Binary Mixtures of an Ethyl Ester + tert-Butanol and a New Approach to VLE Data Processing
• Viscosity, Density, and Refractive Index of Some (Ester + Hydrocarbon) Binary Mixtures at 303.15 K and 313.15 K
• Measurement of Activity Coefficients at Infinite Dilution of Benzene, Toluene, Ethanol, Esters, Ketones, and Ethers at Various Temperatures in Water Using the Dilutor Technique
• Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters
• Isobaric Vapor-Liquid Equilibrium Data and Excess Properties of Binary Systems Comprised of Alkyl Methanoates + Hexane
• Solubility of 1H-1,2,4-Triazole in Ethanol, 1-Propanol, 2-Propanol, 1,2-Propanediol, Ethyl Formate, Methyl Acetate, Ethyl Acetate, and Butyl Acetate at (283 to 363) K
• Solubility of 3-Nitrophthalic Acid in Different Solvents between 278 K and 353 K
• Solubilities of Betulinic Acid in Thirteen Organic Solvents at Different Temperatures
• Densities and Viscosities of Binary Mixtures Containing Ethyl Formate and 2-Alkanols: Friction Theory and Free Volume Theory
• Solubilities of Betulin in Fourteen Organic Solvents at Different Temperatures
• Excess Volumes of Binary Solutions of Methyl Formate, Ethyl Formate, Propyl Formate, and Benzyl Acetate with Bromo-, Chloro-, and Nitrobenzenes at (303.15, 308.15, and 313.15) K
• Solubility of Chlorpheniramine Maleate in Ethanol, 1-Propanol, 1-Butanol, Benzene, Ethyl Acetate, Ethyl Formate, and Butyl Acetate between 283 K and 333 K
• Solubility of 2-(4-Ethylbenzoyl)benzoic Acid in Eleven Organic Solvents between 279.55 K and 343.15 K
• Isobaric Vapor Liquid Equilibrium of Binary Mixtures of Vinyl Acetate and Ethyl Formate with Cumene at 97.3 kPa
• Densities and Viscosities of 1-Butyl-3-methylimidazolium Tetrafluoroborate + Molecular Solvent Binary Mixtures
• Solubility of Tiamulin Hydrogen Fumarate in Acetone, Acetonitrile, Ethyl Acetate, Ethyl Formate, and Butyl Acetate from (288.2 to 318.2) K
• Physical Properties of Binary Mixtures of Ethyl Formate with Benzene, Isopropyl Benzene, Isobutyl Benzene, and Butylbenzene at (303.15, 308.15, and 313.15) K
• Henry s Law Constants of Organic Compounds in Water and n-Octane at T = 293.2 K
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.