Chemical Properties of Diethyl adipate (CAS 141-28-6)

InChI

InChI=1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3

InChI Key

VIZORQUEIQEFRT-UHFFFAOYSA-N

Formula

C10H18O4

SMILES

CCOC(=O)CCCCC(=O)OCC

Molecular Weight¹

202.25

CAS

141-28-6

Other Names

• 1,6-Diethyl hexanedioate
• Adipic acid, diethyl ester
• DIETHYL HEXANEDIOATE
• Diethylester kyseliny adipove
• Ethyl adipate
• Ethyl «delta»-carboethoxyvalerate
• Ethyl «delta»-carboethoxyvalerate
• Hexanedioic acid, 1,6-diethyl ester
• Hexanedioic acid, diethyl ester
• NSC 19160
• diethyl 1,6-hexanedioate

• 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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• D^*_i : Self diffusion coefficient (m²/s).
• γ : Surface Tension (N/m).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Contents

1. Physical Properties
2. Temperature Dependent Properties
3. Datasets
4. Correlations
5. Similar Compounds
6. Mixtures
7. Sources

Physical Properties

Property	Value	Unit	Source
ΔfG°	-434.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-739.33	kJ/mol	Joback Calculated Property
ΔfusH°	27.23	kJ/mol	Joback Calculated Property
ΔvapH°	56.17	kJ/mol	Joback Calculated Property
log10WS	-1.68		Aq. Sol...
logPoct/wat	1.673		Crippen Calculated Property
McVol	166.640	ml/mol	McGowan Calculated Property
Pc	2298.11	kPa	Joback Calculated Property
Inp	[1344.00; 1396.00]
Inp	1368.00		NIST
Inp	1349.00		NIST
Inp	1345.50		NIST
Inp	1353.60		NIST
Inp	1386.00		NIST
Inp	Outlier 1396.00		NIST
Inp	1354.00		NIST
Inp	1353.00		NIST
Inp	1352.00		NIST
Inp	1350.00		NIST
Inp	1368.00		NIST
Inp	1352.00		NIST
Inp	1383.00		NIST
Inp	Outlier 1396.00		NIST
Inp	1344.00		NIST
Inp	1358.00		NIST
Inp	1344.00		NIST
Inp	1368.00		NIST
Inp	1349.00		NIST
Inp	1354.00		NIST
Inp	1345.50		NIST
Inp	1352.00		NIST
Inp	1383.00		NIST
I	[1858.00; 1897.00]
I	1897.00		NIST
I	1858.00		NIST
I	1897.00		NIST
I	1858.00		NIST
Tboil	[406.95; 524.20]	K
Tboil	406.95	K	KDB
Tboil	518.30	K	Liquid-...
Tboil	518.40	K	(Liquid...
Tboil	518.35	K	Liquid-...
Tboil	524.20	K	NIST
Tc	697.00	K	Critica...
Tfus	[239.70; 253.88]	K
Tfus	253.35	K	KDB
Tfus	253.88	K	Aq. Sol...
Tfus	253.25 ± 0.50	K	NIST
Tfus	251.00 ± 2.00	K	NIST
Tfus	239.70 ± 0.60	K	NIST
Vc	0.643	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[415.69; 486.74]	J/mol×K	[580.78; 760.87]
Cp,gas	415.69	J/mol×K	580.78	Joback Calculated Property
Cp,gas	428.88	J/mol×K	610.80	Joback Calculated Property
Cp,gas	441.54	J/mol×K	640.81	Joback Calculated Property
Cp,gas	453.66	J/mol×K	670.83	Joback Calculated Property
Cp,gas	465.23	J/mol×K	700.84	Joback Calculated Property
Cp,gas	476.26	J/mol×K	730.86	Joback Calculated Property
Cp,gas	486.74	J/mol×K	760.87	Joback Calculated Property
η	[0.0009400; 0.0045700]	Pa×s	[283.15; 373.15]
η	0.0045700	Pa×s	283.15	Influen...
η	0.0039900	Pa×s	288.15	Influen...
η	0.0035100	Pa×s	293.15	Influen...
η	0.0031200	Pa×s	298.15	Influen...
η	0.0027900	Pa×s	303.15	Influen...
η	0.0025100	Pa×s	308.15	Influen...
η	0.0022800	Pa×s	313.15	Influen...
η	0.0020700	Pa×s	318.15	Influen...
η	0.0019000	Pa×s	323.15	Influen...
η	0.0017500	Pa×s	328.15	Influen...
η	0.0016100	Pa×s	333.15	Influen...
η	0.0014900	Pa×s	338.15	Influen...
η	0.0013900	Pa×s	343.15	Influen...
η	0.0012900	Pa×s	348.15	Influen...
η	0.0012100	Pa×s	353.15	Influen...
η	0.0011300	Pa×s	358.15	Influen...
η	0.0010600	Pa×s	363.15	Influen...
η	0.0010000	Pa×s	368.15	Influen...
η	0.0009400	Pa×s	373.15	Influen...
ΔvapH	57.50	kJ/mol	430.00	NIST
Pvap	[2.20e-03; 0.11]	kPa	[303.50; 352.20]
Pvap	2.20e-03	kPa	303.50	Vapor P...
Pvap	3.43e-03	kPa	308.20	Vapor P...
Pvap	5.23e-03	kPa	313.30	Vapor P...
Pvap	7.93e-03	kPa	318.20	Vapor P...
Pvap	0.01	kPa	323.10	Vapor P...
Pvap	0.02	kPa	328.20	Vapor P...
Pvap	0.02	kPa	329.60	Vapor P...
Pvap	0.03	kPa	333.20	Vapor P...
Pvap	0.03	kPa	335.20	Vapor P...
Pvap	0.04	kPa	338.20	Vapor P...
Pvap	0.05	kPa	340.20	Vapor P...
Pvap	0.06	kPa	343.20	Vapor P...
Pvap	0.07	kPa	346.20	Vapor P...
Pvap	0.09	kPa	349.10	Vapor P...
Pvap	0.11	kPa	352.20	Vapor P...
D*i	[0.00; 0.00]	m2/s	[293.43; 338.47]
D*i	0.00	m2/s	293.43	Self-di...
D*i	0.00	m2/s	302.44	Self-di...
D*i	0.00	m2/s	311.45	Self-di...
D*i	0.00	m2/s	320.46	Self-di...
D*i	0.00	m2/s	329.45	Self-di...
D*i	0.00	m2/s	338.47	Self-di...
γ	[0.02; 0.03]	N/m	[293.16; 373.14]
γ	0.03	N/m	293.16	Surface...
γ	0.03	N/m	298.09	Surface...
γ	0.03	N/m	303.17	Surface...
γ	0.03	N/m	308.11	Surface...
γ	0.03	N/m	313.18	Surface...
γ	0.03	N/m	318.15	Surface...
γ	0.03	N/m	323.17	Surface...
γ	0.03	N/m	328.12	Surface...
γ	0.03	N/m	333.16	Surface...
γ	0.03	N/m	338.16	Surface...
γ	0.03	N/m	343.15	Surface...
γ	0.03	N/m	348.13	Surface...
γ	0.03	N/m	353.16	Surface...
γ	0.03	N/m	358.13	Surface...
γ	0.03	N/m	363.13	Surface...
γ	0.02	N/m	368.15	Surface...
γ	0.02	N/m	373.14	Surface...

Datasets

1. Viscosity, Pa*s (2)
2. Mass density, kg/m3 (1)

Viscosity, Pa*s

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Viscosity, Pa*s - Liquid
283.15	100.00	0.0045
283.15	1000.00	0.0046
283.15	5000.00	0.0048
283.15	10000.00	0.0051
283.15	15000.00	0.0053
283.15	20000.00	0.0056
283.16	30000.00	0.0062
283.15	40000.00	0.0069
293.15	100.00	0.0035
293.15	1000.00	0.0035
293.15	5000.00	0.0037
293.15	10000.00	0.0039
293.15	15000.00	0.0041
293.15	20000.00	0.0043
293.15	30000.00	0.0047
293.15	40000.00	0.0052
303.15	100.00	0.0028
303.15	1000.00	0.0028
303.15	5000.00	0.0029
303.15	10000.00	0.0031
303.15	15000.00	0.0032
303.15	20000.00	0.0034
303.15	30000.00	0.0037
303.15	40000.00	0.0040
313.15	100.00	0.0023
313.16	1000.00	0.0023
313.15	5000.00	0.0024
313.15	10000.00	0.0025
313.15	15000.00	0.0026
313.15	20000.00	0.0027
313.15	30000.00	0.0030
313.15	40000.00	0.0033
323.15	100.00	0.0019
323.15	1000.00	0.0019
323.15	5000.00	0.0020
323.15	10000.00	0.0021
323.15	15000.00	0.0022
323.15	20000.00	0.0022
323.15	30000.00	0.0025
323.15	40000.00	0.0027
333.15	100.00	0.0016
333.15	1000.00	0.0016
333.15	5000.00	0.0017
333.15	10000.00	0.0017
333.15	15000.00	0.0018
333.15	20000.00	0.0019
333.15	30000.00	0.0021
333.15	40000.00	0.0022
343.15	100.00	0.0014
343.15	1000.00	0.0014
343.15	5000.00	0.0014
343.15	10000.00	0.0015
343.15	15000.00	0.0016
343.15	20000.00	0.0016
343.15	30000.00	0.0018
343.15	40000.00	0.0019
353.15	100.00	0.0012
353.14	1000.00	0.0012
353.15	5000.00	0.0012
353.15	10000.00	0.0013
353.15	15000.00	0.0014
353.15	20000.00	0.0014
353.15	30000.00	0.0015
353.15	40000.00	0.0017
363.15	100.00	0.0010
363.15	1000.00	0.0010
363.15	5000.00	0.0011
363.15	10000.00	0.0011
363.15	15000.00	0.0012
363.15	20000.00	0.0012
363.15	30000.00	0.0013
363.15	40000.00	0.0015
Reference

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Viscosity, Pa*s - Liquid
303.15	100.00	0.0028
303.15	4520.00	0.0029
303.15	9610.00	0.0031
303.15	14700.00	0.0032
303.15	19790.00	0.0033
313.15	100.00	0.0023
313.15	4520.00	0.0023
313.15	9630.00	0.0025
313.15	14750.00	0.0026
313.15	19890.00	0.0027
323.15	100.00	0.0018
323.15	4520.00	0.0019
323.15	9600.00	0.0020
323.15	14690.00	0.0021
323.15	19710.00	0.0022
333.15	100.00	0.0016
333.15	4520.00	0.0016
333.15	9630.00	0.0017
333.15	14710.00	0.0018
333.15	19710.00	0.0019
343.15	100.00	0.0014
343.15	4510.00	0.0014
343.15	9600.00	0.0015
343.15	14700.00	0.0015
343.15	19700.00	0.0016
353.15	100.00	0.0012
353.15	4520.00	0.0012
353.15	9620.00	0.0013
353.15	14710.00	0.0013
353.15	19680.00	0.0014
363.15	100.00	0.0010
363.15	4520.00	0.0011
363.15	9610.00	0.0011
363.15	14700.00	0.0012
363.15	19710.00	0.0012
373.15	100.00	0.0009
373.15	4520.00	0.0010
373.15	9620.00	0.0010
373.15	14680.00	0.0010
373.15	19910.00	0.0011
Reference

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
293.15	100.00	1006.6
293.15	10000.00	1013.1
293.15	20000.00	1019.4
293.15	30000.00	1025.3
293.15	40000.00	1030.9
293.15	50000.00	1036.2
293.15	60000.00	1041.2
293.15	70000.00	1046.0
293.15	80000.00	1050.8
293.15	90000.00	1055.2
293.15	100000.00	1059.6
293.15	110000.00	1063.8
293.15	120000.00	1067.9
293.15	130000.00	1071.8
293.15	140000.00	1075.7
303.15	100.00	997.0
303.15	10000.00	1003.9
303.15	20000.00	1010.4
303.15	30000.00	1016.6
303.15	40000.00	1022.5
303.15	50000.00	1028.0
303.15	60000.00	1033.3
303.15	70000.00	1038.3
303.15	80000.00	1043.2
303.15	90000.00	1047.8
303.15	100000.00	1052.3
303.15	110000.00	1056.5
303.15	120000.00	1060.9
303.15	130000.00	1064.8
303.15	140000.00	1068.9
313.15	100.00	987.7
313.15	10000.00	994.9
313.15	20000.00	1001.8
313.15	30000.00	1008.3
313.15	40000.00	1014.3
313.15	50000.00	1020.1
313.15	60000.00	1025.6
313.15	70000.00	1030.8
313.15	80000.00	1035.9
313.15	90000.00	1040.7
313.15	100000.00	1045.1
313.15	110000.00	1049.5
313.15	120000.00	1053.9
313.15	130000.00	1058.1
313.15	140000.00	1062.1
323.15	100.00	978.3
323.15	10000.00	986.2
323.15	20000.00	993.4
323.15	30000.00	1000.1
323.15	40000.00	1006.4
323.15	50000.00	1012.4
323.15	60000.00	1018.0
323.15	70000.00	1023.4
323.15	80000.00	1028.6
323.15	90000.00	1033.6
323.15	100000.00	1038.3
323.15	110000.00	1042.8
323.15	120000.00	1047.4
323.15	130000.00	1051.6
323.15	140000.00	1055.8
333.15	100.00	969.0
333.15	10000.00	977.1
333.15	20000.00	984.8
333.15	30000.00	991.7
333.15	40000.00	998.3
333.15	50000.00	1004.6
333.15	60000.00	1010.4
333.15	70000.00	1016.0
333.15	80000.00	1021.3
333.15	90000.00	1026.4
333.15	100000.00	1031.3
333.15	110000.00	1035.9
333.15	120000.00	1040.4
333.15	130000.00	1045.0
333.15	140000.00	1049.3
343.15	100.00	959.8
343.15	10000.00	968.2
343.15	20000.00	976.1
343.15	30000.00	983.3
343.15	40000.00	990.3
343.15	50000.00	996.7
343.15	60000.00	1002.9
343.15	70000.00	1008.7
343.15	80000.00	1014.3
343.15	90000.00	1019.5
343.15	100000.00	1024.6
343.15	110000.00	1029.5
343.15	120000.00	1034.2
343.15	130000.00	1038.5
343.15	140000.00	1042.9
353.15	100.00	949.7
353.15	10000.00	958.7
353.15	20000.00	967.0
353.15	30000.00	974.8
353.15	40000.00	982.1
353.15	50000.00	989.0
353.15	60000.00	995.4
353.15	70000.00	1001.2
353.15	80000.00	1006.9
353.15	90000.00	1012.4
353.15	100000.00	1017.4
353.15	110000.00	1022.3
353.15	120000.00	1026.7
353.15	130000.00	1031.4
353.15	140000.00	1036.2
363.15	100.00	940.2
363.15	10000.00	949.9
363.15	20000.00	958.6
363.15	30000.00	966.6
363.15	40000.00	974.2
363.15	50000.00	981.3
363.15	60000.00	987.7
363.15	70000.00	994.0
363.15	80000.00	999.9
363.15	90000.00	1005.4
363.15	100000.00	1010.8
363.15	110000.00	1015.9
363.15	120000.00	1021.0
363.15	130000.00	1025.8
363.15	140000.00	1030.4
373.15	100.00	930.9
373.15	10000.00	940.9
373.15	20000.00	950.1
373.15	30000.00	958.8
373.15	40000.00	966.7
373.15	50000.00	973.6
373.15	60000.00	980.3
373.15	70000.00	986.7
373.15	80000.00	992.8
373.15	90000.00	998.7
373.15	100000.00	1004.1
373.15	110000.00	1009.3
373.15	120000.00	1014.3
373.15	130000.00	1019.3
373.15	140000.00	1023.9
383.15	100.00	921.3
383.15	10000.00	932.0
383.15	20000.00	941.7
383.15	30000.00	950.2
383.15	40000.00	958.5
383.15	50000.00	966.0
383.15	60000.00	973.0
383.15	70000.00	979.6
383.15	80000.00	986.0
383.15	90000.00	991.9
383.15	100000.00	997.6
383.15	110000.00	1003.0
383.15	120000.00	1008.3
383.15	130000.00	1013.1
383.15	140000.00	1017.8
393.15	100.00	911.6
393.15	10000.00	922.1
393.15	20000.00	932.2
393.15	30000.00	941.4
393.15	40000.00	949.8
393.15	50000.00	957.1
393.15	60000.00	964.3
393.15	70000.00	971.5
393.15	80000.00	978.0
393.15	90000.00	984.2
393.15	100000.00	990.1
393.15	110000.00	995.7
393.15	120000.00	1000.8
393.15	130000.00	1006.1
393.15	140000.00	1011.0
403.15	100.00	902.0
403.15	10000.00	912.7
403.15	20000.00	923.3
403.15	30000.00	933.2
403.15	40000.00	941.5
403.15	50000.00	949.8
403.15	60000.00	957.2
403.15	70000.00	964.4
403.15	80000.00	971.0
403.15	90000.00	977.3
403.15	100000.00	983.3
403.15	110000.00	989.0
403.15	120000.00	994.6
403.15	130000.00	999.7
403.15	140000.00	1004.7
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.11; 101.47]	kPa	[347.15; 513.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			-5.74435e+01
Coefficient B			-3.29310e+03
Coefficient C			1.11549e+01
Coefficient D			-4.30055e-06
Temperature range, min.			347.15
Temperature range, max.			513.15
Pvap	0.11	kPa	347.15	Calculated Property
Pvap	0.30	kPa	365.59	Calculated Property
Pvap	0.76	kPa	384.04	Calculated Property
Pvap	1.79	kPa	402.48	Calculated Property
Pvap	3.95	kPa	420.93	Calculated Property
Pvap	8.27	kPa	439.37	Calculated Property
Pvap	16.48	kPa	457.82	Calculated Property
Pvap	31.42	kPa	476.26	Calculated Property
Pvap	57.52	kPa	494.71	Calculated Property
Pvap	101.47	kPa	513.15	Calculated Property

Similar Compounds

Find more compounds similar to Diethyl adipate.

Mixtures

• Diethyl adipate + Butanoic acid + Water
• Diethyl adipate + Water
• Diethyl adipate + Propanoic acid + Water
• Diethyl adipate + Acetic acid + Water
• Diethyl adipate + Heptane

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Viscosity Measurements of Dialkyl Adipates in the Temperature Range of (283 to 363) K and up to 40 MPa
• Surface tension of diethyl carbonate, 1,2-dimethoxyethane and diethyl adipate
• Liquid-liquid equilibria of (water + butyric acid + diethyl succinate or diethyl glutarate or diethyl adipate) ternary systems
• Self-diffusivity measurements of dimethyl, diethyl, dipropyl, dibutyl, Bis(2-ethylhexyl) adipates from (293 - 339) K by a PGSE-NMR spin-echo technique
• Critical temperatures and pressures of some dicarboxylic acid diethyl esters
• (Liquid + liquid) equilibria of (water + propionic acid + diethyl succinate or diethyl glutarate or diethyl adipate) ternary systems
• Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
• Influence of the Molecular Structure on the Volumetric Properties and Viscosities of Dialkyl Adipates (Dimethyl, Diethyl, and Diisobutyl Adipates)
• Liquid-Liquid Equilibria of (Water + Acetic Acid + Diethyl Succinate or Diethyl Glutarate or Diethyl Adipate) Ternary Systems
• Density of Diethyl Adipate using a New Vibrating Tube Densimeter from (293.15 to 403.15) K and up to 140 MPa. Calibration and Measurements
• Density and Viscosity Measurements of Diethyl Adipate from (303 to 373) K and up to 20 MPa
• Mutual Diffusion Coefficients of Diethyl Carbonate and Diethyl Adipate in Heptane at T = (278.15 to 338.15) K under Atmospheric Pressure
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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