Chemical Properties of Ethyl acetate (CAS 141-78-6)

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InChI

InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3

InChI Key

XEKOWRVHYACXOJ-UHFFFAOYSA-N

Formula

C4H8O2

SMILES

CCOC(C)=O

Molecular Weight¹

88.11

CAS

141-78-6

Other Names

• 1-Acetoxyethane
• Acetic acid, ethyl ester
• Acetic ether
• Acetidin
• Acetoxyethane
• Aethylacetat
• CH3COOC2H5
• Essigester
• Ethyl acetic ester
• Ethyl ester of acetic acid
• Ethyl ethanoate
• Ethylacetaat
• Ethyle (acetate d')
• Ethylester kyseliny octove
• Etile (acetato di)
• NSC 70930
• Rcra waste number U112
• UN 1173
• Vinegar naphtha
• ac. acetic ethyl ester

Sources

• Joback Method
• NIST Webbook
• Crippen Method

• PAff: Proton affinity (kJ/mol).
• BasG: Gas basicity (kJ/mol).
• 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).
• logP_oct/wat: Octanol/Water partition coefficient.
• P_c: Critical Pressure (kPa).
• Δ_fusS: Entropy of fusion at a given temperature (J/mol×K).
• S°_gas: Molar entropy at standard conditions (J/mol×K).
• S°_liquid: Liquid phase molar entropy at standard conditions (J/mol×K).
• 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/kg-mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	835.70	kJ/mol	NIST
BasG	804.70	kJ/mol	NIST
BasG	799.90 ± 0.20	kJ/mol	NIST
ΔcH°liquid	[-2256.00; -2235.40]	kJ/mol
ΔcH°liquid	-2238.54 ± 0.48	kJ/mol	NIST
ΔcH°liquid	-2235.40 ± 3.90	kJ/mol	NIST
ΔcH°liquid	-2256.00	kJ/mol	NIST
ΔcH°liquid	-2246.00	kJ/mol	NIST
ΔfG°	-251.12	kJ/mol	Joback Calculated Property
ΔfH°gas	[-446.90; -443.80]	kJ/mol
ΔfH°gas	-445.43 ± 0.84	kJ/mol	NIST
ΔfH°gas	-444.80 ± 0.40	kJ/mol	NIST
ΔfH°gas	-443.80	kJ/mol	NIST
ΔfH°gas	-446.90	kJ/mol	NIST
ΔfH°liquid	[-482.00; -478.82]	kJ/mol
ΔfH°liquid	-480.57 ± 0.79	kJ/mol	NIST
ΔfH°liquid	-479.86 ± 0.46	kJ/mol	NIST
ΔfH°liquid	-478.82 ± 0.73	kJ/mol	NIST
ΔfH°liquid	-482.00 ± 4.00	kJ/mol	NIST
ΔfusH°	8.90	kJ/mol	Joback Calculated Property
ΔvapH°	[32.30; 35.69]	kJ/mol
ΔvapH°	35.69	kJ/mol	NIST
ΔvapH°	35.00	kJ/mol	NIST
ΔvapH°	35.10	kJ/mol	NIST
ΔvapH°	35.10 ± 0.20	kJ/mol	NIST
ΔvapH°	35.10	kJ/mol	NIST
ΔvapH°	35.60 ± 0.10	kJ/mol	NIST
ΔvapH°	35.10 ± 0.20	kJ/mol	NIST
ΔvapH°	35.10 ± 0.20	kJ/mol	NIST
ΔvapH°	Outlier 32.30 ± 0.42	kJ/mol	NIST
IE	[9.90; 10.45]	eV
IE	10.01 ± 0.05	eV	NIST
IE	10.01 ± 0.05	eV	NIST
IE	10.00 ± 0.10	eV	NIST
IE	10.16	eV	NIST
IE	9.90 ± 0.05	eV	NIST
IE	10.24	eV	NIST
IE	10.11 ± 0.02	eV	NIST
IE	10.09 ± 0.02	eV	NIST
IE	Outlier 10.45	eV	NIST
IE	9.90	eV	NIST
logPoct/wat	0.569		Crippen Calculated Property
Pc	[3830.00; 4280.00]	kPa
Pc	3882.00 ± 3.87	kPa	NIST
Pc	3830.00 ± 81.06	kPa	NIST
Pc	3851.70 ± 40.00	kPa	NIST
Pc	4018.00 ± 202.65	kPa	NIST
Pc	4280.00 ± 405.30	kPa	NIST
S°gas	362.75	J/mol×K	NIST
S°liquid	259.40	J/mol×K	NIST
Tboil	[346.65; 375.00]	K
Tboil	350.13 ± 0.30	K	NIST
Tboil	350.20	K	NIST
Tboil	350.00	K	NIST
Tboil	350.25 ± 0.30	K	NIST
Tboil	349.25 ± 0.30	K	NIST
Tboil	350.25 ± 0.30	K	NIST
Tboil	350.25 ± 0.30	K	NIST
Tboil	350.30 ± 0.20	K	NIST
Tboil	350.30	K	NIST
Tboil	350.30 ± 0.50	K	NIST
Tboil	350.25 ± 0.30	K	NIST
Tboil	350.19 ± 0.50	K	NIST
Tboil	350.25 ± 0.30	K	NIST
Tboil	350.30 ± 0.20	K	NIST
Tboil	350.30 ± 0.30	K	NIST
Tboil	Outlier 375.00 ± 2.00	K	NIST
Tboil	350.35	K	NIST
Tboil	350.05 ± 0.30	K	NIST
Tboil	350.21 ± 0.50	K	NIST
Tboil	350.25 ± 0.50	K	NIST
Tboil	350.25 ± 0.30	K	NIST
Tboil	350.00 ± 2.00	K	NIST
Tboil	350.29 ± 0.15	K	NIST
Tboil	350.15 ± 2.00	K	NIST
Tboil	350.25 ± 0.30	K	NIST
Tboil	350.25 ± 0.30	K	NIST
Tboil	350.25 ± 0.50	K	NIST
Tboil	350.25 ± 0.30	K	NIST
Tboil	350.65 ± 2.00	K	NIST
Tboil	349.65 ± 2.00	K	NIST
Tboil	352.15 ± 2.00	K	NIST
Tboil	350.25 ± 1.00	K	NIST
Tboil	350.30 ± 1.00	K	NIST
Tboil	350.30 ± 1.00	K	NIST
Tboil	349.97 ± 2.00	K	NIST
Tboil	351.15 ± 2.00	K	NIST
Tboil	350.45 ± 1.00	K	NIST
Tboil	350.25 ± 1.00	K	NIST
Tboil	350.30 ± 0.40	K	NIST
Tboil	349.15 ± 2.00	K	NIST
Tboil	349.65 ± 2.50	K	NIST
Tboil	350.26 ± 0.06	K	NIST
Tboil	350.30 ± 0.15	K	NIST
Tboil	350.00 ± 2.00	K	NIST
Tboil	350.30 ± 0.50	K	NIST
Tboil	350.15 ± 2.00	K	NIST
Tboil	349.95 ± 2.00	K	NIST
Tboil	350.20 ± 0.50	K	NIST
Tboil	350.30 ± 0.20	K	NIST
Tboil	350.25 ± 0.50	K	NIST
Tboil	350.21 ± 0.50	K	NIST
Tboil	349.65 ± 2.00	K	NIST
Tboil	350.30 ± 0.50	K	NIST
Tboil	350.30 ± 0.50	K	NIST
Tboil	350.30 ± 0.50	K	NIST
Tboil	350.45 ± 0.60	K	NIST
Tboil	350.30 ± 0.30	K	NIST
Tboil	350.25 ± 1.00	K	NIST
Tboil	350.30 ± 0.20	K	NIST
Tboil	350.25 ± 1.00	K	NIST
Tboil	349.90 ± 0.20	K	NIST
Tboil	350.30 ± 0.50	K	NIST
Tboil	350.30 ± 0.20	K	NIST
Tboil	350.30 ± 0.50	K	NIST
Tboil	350.30 ± 2.00	K	NIST
Tboil	350.20 ± 2.00	K	NIST
Tboil	350.30 ± 2.00	K	NIST
Tboil	350.10 ± 2.00	K	NIST
Tboil	350.70 ± 2.00	K	NIST
Tboil	350.65 ± 2.00	K	NIST
Tboil	346.65 ± 3.00	K	NIST
Tboil	347.45 ± 2.00	K	NIST
Tboil	347.45 ± 2.00	K	NIST
Tc	[513.00; 548.90]	K
Tc	523.20	K	NIST
Tc	523.30 ± 0.05	K	NIST
Tc	523.30 ± 1.00	K	NIST
Tc	523.30 ± 1.00	K	NIST
Tc	Outlier 548.90 ± 20.00	K	NIST
Tc	522.70 ± 2.00	K	NIST
Tc	513.00 ± 6.00	K	NIST
Tfus	[189.18; 190.77]	K
Tfus	189.55	K	NIST
Tfus	189.18 ± 0.05	K	NIST
Tfus	189.35 ± 0.30	K	NIST
Tfus	189.55 ± 0.10	K	NIST
Tfus	189.77 ± 0.30	K	NIST
Tfus	Outlier 190.77 ± 0.20	K	NIST
Tfus	190.00 ± 2.00	K	NIST
Ttriple	189.30 ± 0.05	K	NIST
Ttriple	189.30 ± 0.20	K	NIST
Vc	0.283	m3/kg-mol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[125.82; 149.47]	J/mol×K	[360.00; 450.00]
Cp,gas	125.82	J/mol×K	360.0	NIST
Cp,gas	131.06	J/mol×K	380.0	NIST
Cp,gas	136.22	J/mol×K	400.0	NIST
Cp,gas	142.80	J/mol×K	425.0	NIST
Cp,gas	149.47	J/mol×K	450.0	NIST
Cp,liquid	[157.70; 170.59]	J/mol×K	[290.00; 303.61]
Cp,liquid	157.70	J/mol×K	290.0	NIST
Cp,liquid	169.20	J/mol×K	293.6	NIST
Cp,liquid	169.50	J/mol×K	298.1	NIST
Cp,liquid	168.94	J/mol×K	298.15	NIST
Cp,liquid	169.30	J/mol×K	298.15	NIST
Cp,liquid	169.06	J/mol×K	298.15	NIST
Cp,liquid	169.60	J/mol×K	298.15	NIST
Cp,liquid	169.60	J/mol×K	298.15	NIST
Cp,liquid	167.40	J/mol×K	298.15	NIST
Cp,liquid	170.59	J/mol×K	298.32	NIST
Cp,liquid	168.82	J/mol×K	303.61	NIST
η	0.0002684	Pa×s	367.21	Joback Calculated Property
ΔfusH	10.48	kJ/mol	189.3	NIST
ΔfusH	10.48	kJ/mol	189.3	NIST
ΔfusH	10.48	kJ/mol	189.3	NIST
ΔvapH	[31.00; 36.70]	kJ/mol	[313.00; 363.00]
ΔvapH	34.60 ± 0.10	kJ/mol	313.0	NIST
ΔvapH	35.70	kJ/mol	319.5	NIST
ΔvapH	34.00	kJ/mol	320.0	NIST
ΔvapH	36.70	kJ/mol	322.0	NIST
ΔvapH	33.80 ± 0.10	kJ/mol	326.0	NIST
ΔvapH	33.40 ± 0.10	kJ/mol	331.0	NIST
ΔvapH	31.40 ± 0.10	kJ/mol	343.0	NIST
ΔvapH	32.40 ± 0.10	kJ/mol	344.0	NIST
ΔvapH	34.10	kJ/mol	345.0	NIST
ΔvapH	31.90	kJ/mol	350.0	NIST
ΔvapH	31.94	kJ/mol	350.3	NIST
ΔvapH	31.90 ± 0.10	kJ/mol	351.0	NIST
ΔvapH	31.00 ± 0.10	kJ/mol	363.0	NIST
ΔfusS	55.27	J/mol×K	189.3	NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring)	1
-CH2-	1
>C=O (nonring)	1
-CH3	2

Similar Compounds

Find more compounds similar to Ethyl acetate.

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