Chemical Properties of Acetic acid, diethyl- (CAS 88-09-5)

InChI

InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)

InChI Key

OXQGTIUCKGYOAA-UHFFFAOYSA-N

Formula

C6H12O2

SMILES

CCC(CC)C(=O)O

Molecular Weight¹

116.16

CAS

88-09-5

Other Names

• (C2H5)2CHCOOH
• 2-ETHYL BUTYRIC ACID
• 2-Ethyl-n-butyric acid
• 2-Ethylbutanoic acid
• 2-Ethylbutyric acid
• 3-Pentanecarboxylic acid
• Butanoic acid, 2-ethyl-
• Butyric acid, 2-ethyl-
• Diethylacetic acid
• Kyselina diethyloctova
• NSC 11765
• «alpha»-Ethylbutyric acid
• «alpha»-Ethylbutyric acid

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_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).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6250		Relay (1.0) Calculated Property
ΔfG°	-268.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-527.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.46	kJ/mol	Joback Calculated Property
ΔvapH°	67.88	kJ/mol	Relay (1.0) Calculated Property
IE	10.07	eV	Relay (1.0) Calculated Property
log10WS	-0.81		Aq. Solubility Prediction
logPoct/wat	1.507		Crippen Calculated Property
McVol	102.840	ml/mol	McGowan Calculated Property
Pc	3759.17	kPa	Joback Calculated Property
Tboil	[409.90; 469.15]	K
Tboil	467.20	K	NIST
Tboil	467.35	K	NIST
Tboil	Outlier 409.90 ± 2.50	K	NIST
Tboil	466.15 ± 3.00	K	NIST
Tboil	467.15 ± 0.70	K	NIST
Tboil	462.65 ± 4.00	K	NIST
Tboil	463.65 ± 2.00	K	NIST
Tboil	467.65 ± 3.00	K	NIST
Tboil	469.15 ± 3.00	K	NIST
Tc	637.38	K	Relay (1.0) Calculated Property
Tfus	[241.35; 258.20]	K
Tfus	249.75	K	Aq. Solubility Prediction
Tfus	258.20 ± 0.60	K	NIST
Tfus	241.35 ± 0.50	K	NIST
Vc	0.356	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[223.83; 273.38]	J/mol×K	[482.29; 657.19]
Cp,gas	223.83	J/mol×K	482.29	Joback Calculated Property
Cp,gas	233.01	J/mol×K	511.44	Joback Calculated Property
Cp,gas	241.81	J/mol×K	540.59	Joback Calculated Property
Cp,gas	250.24	J/mol×K	569.74	Joback Calculated Property
Cp,gas	258.31	J/mol×K	598.89	Joback Calculated Property
Cp,gas	266.02	J/mol×K	628.04	Joback Calculated Property
Cp,gas	273.38	J/mol×K	657.19	Joback Calculated Property
η	[0.0001967; 0.0437428]	Pa×s	[253.13; 482.29]
η	0.0437428	Pa×s	253.13	Joback Calculated Property
η	0.0098475	Pa×s	291.32	Joback Calculated Property
η	0.0031323	Pa×s	329.52	Joback Calculated Property
η	0.0012640	Pa×s	367.71	Joback Calculated Property
η	0.0006050	Pa×s	405.90	Joback Calculated Property
η	0.0003288	Pa×s	444.10	Joback Calculated Property
η	0.0001967	Pa×s	482.29	Joback Calculated Property
ΔvapH	58.20	kJ/mol	419.50	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[363.20; 373.20]	K	[1.70; 2.40]
Tboilr	363.20	K	1.70	NIST
Tboilr	373.20	K	2.40	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[354.87; 484.58]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.62109e+01
Coefficient B			-4.48107e+03
Coefficient C			-7.34520e+01
Temperature range, min.			354.87
Temperature range, max.			484.58
Pvap	1.33	kPa	354.87	Calculated Property
Pvap	2.90	kPa	369.28	Calculated Property
Pvap	5.85	kPa	383.69	Calculated Property
Pvap	11.12	kPa	398.11	Calculated Property
Pvap	19.99	kPa	412.52	Calculated Property
Pvap	34.26	kPa	426.93	Calculated Property
Pvap	56.29	kPa	441.34	Calculated Property
Pvap	89.09	kPa	455.76	Calculated Property
Pvap	136.38	kPa	470.17	Calculated Property
Pvap	202.64	kPa	484.58	Calculated Property
Pvap	[4.92e-04; 3341.24]	kPa	[258.15; 655.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.58114e+01
Coefficient B			-9.71131e+03
Coefficient C			-8.26984e+00
Coefficient D			1.76223e-06
Temperature range, min.			258.15
Temperature range, max.			655.00
Pvap	4.92e-04	kPa	258.15	Calculated Property
Pvap	0.03	kPa	302.24	Calculated Property
Pvap	0.69	kPa	346.34	Calculated Property
Pvap	6.41	kPa	390.43	Calculated Property
Pvap	35.23	kPa	434.53	Calculated Property
Pvap	133.28	kPa	478.62	Calculated Property
Pvap	384.94	kPa	522.72	Calculated Property
Pvap	909.87	kPa	566.81	Calculated Property
Pvap	1848.12	kPa	610.91	Calculated Property
Pvap	3341.24	kPa	655.00	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, diethyl-.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.