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

• 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).
• 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
ΔfG°	-268.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-437.26	kJ/mol	Joback Calculated Property
ΔfusH°	13.46	kJ/mol	Joback Calculated Property
ΔvapH°	51.99	kJ/mol	Joback Calculated Property
log10WS	-0.81		Aq. Sol...
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	657.19	K	Joback Calculated Property
Tfus	[241.35; 258.20]	K
Tfus	249.75	K	Aq. Sol...
Tfus	258.20 ± 0.60	K	NIST
Tfus	241.35 ± 0.50	K	NIST
Vc	0.391	m3/kmol	Joback 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 Yaw...
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 Vap...
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
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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