Chemical Properties of Hexanedioic acid, bis(2-ethylhexyl) ester (CAS 103-23-1)

InChI

InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3

InChI Key

SAOKZLXYCUGLFA-UHFFFAOYSA-N

Formula

C22H42O4

SMILES

CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC

Molecular Weight¹

370.57

CAS

103-23-1

Other Names

• ADO (lubricating oil)
• Adimoll DO
• Adipic acid di(2-ethylhexyl) ester
• Adipic acid, bis(2-ethylhexyl) ester
• Adipol 2EH
• BEHA
• Bis(2-ethylhexyl) adipate
• Bis(2-ethylhexyl) hexanedioate
• Bis-(2-ethylhexyl)ester kyseliny adipove
• Bis-(2-ethylhexyl)ester kyseliny adipove (czech)
• Bisoflex DOA
• Crodamol DOA
• DEHA
• DOA
• Di(2-ethylhexyl) adipate
• Diethylhexyl adipate
• Dioctyl adipate
• Effomoll DOA
• Ergoplast Addo
• Flexol A 26
• Flexol plasticizer 10-A
• Flexol plasticizer A-26
• Good-rite GP-223
• Hatcol 2908
• Hexanedioic acid, 1,6-bis(2-ethylhexyl) ester
• Jayflex DOA 2
• K 3220
• Kemester 5652
• Kodaflex DOA
• Lankroflex DOA
• Mollan S
• Monoplex DOA
• Monsanto DOA
• NCI-C54386
• PX-238
• Palatinol DOA
• Plasthall DOA
• Plastomoll DOA
• Polycizer DOA
• Reomol DOA
• Rucoflex plasticizer doa
• Sansocizer DOA
• Sicol 250
• Staflex doa
• Truflex DOA
• Uniflex doa
• Vestinol OA
• WITAMOL 320
• Wickenol 158
• diacizer DOA
• effomoll DA
• hexanedioic acid bis(2-ethylhexyl) ester
• octyl adipate

• ω : Acentric Factor.
• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• D^*_i : Self diffusion coefficient (m²/s).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• 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	1.0145		Relay (1.0) Calculated Property
ΔfG°	-338.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-1141.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.26	kJ/mol	Joback Calculated Property
ΔvapH°	101.22	kJ/mol	Relay (1.0) Calculated Property
IE	9.31	eV	Relay (1.0) Calculated Property
log10WS	-5.06		Aq. Solubility Prediction
logPoct/wat	6.066		Crippen Calculated Property
McVol	335.720	ml/mol	McGowan Calculated Property
Pc	963.27	kPa	Joback Calculated Property
Inp	[2361.00; 2398.20]
Inp	2383.00		NIST
Inp	2381.00		NIST
Inp	2382.00		NIST
Inp	2390.00		NIST
Inp	2382.00		NIST
Inp	2398.20		NIST
Inp	Outlier 2361.00		NIST
Inp	2381.00		NIST
Inp	2381.00		NIST
Inp	2383.00		NIST
Inp	2382.00		NIST
I	[1892.00; 1896.00]
I	1892.00		NIST
I	1896.00		NIST
I	1892.00		NIST
S°liquid	865.00	J/mol×K	NIST
Tboil	627.57	K	Relay (1.0) Calculated Property
Tc	792.25	K	Relay (1.0) Calculated Property
Tfus	[161.50; 205.75]	K
Tfus	205.75	K	Aq. Solubility Prediction
Tfus	161.50	K	NIST
Vc	1.254	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1092.98; 1190.16]	J/mol×K	[854.46; 1046.57]
Cp,gas	1092.98	J/mol×K	854.46	Joback Calculated Property
Cp,gas	1112.15	J/mol×K	886.48	Joback Calculated Property
Cp,gas	1130.10	J/mol×K	918.50	Joback Calculated Property
Cp,gas	1146.85	J/mol×K	950.51	Joback Calculated Property
Cp,gas	1162.43	J/mol×K	982.53	Joback Calculated Property
Cp,gas	1176.86	J/mol×K	1014.55	Joback Calculated Property
Cp,gas	1190.16	J/mol×K	1046.57	Joback Calculated Property
Cp,liquid	701.50	J/mol×K	300.00	NIST
η	[0.0000333; 0.0009298]	Pa×s	[452.02; 854.46]
η	0.0009298	Pa×s	452.02	Joback Calculated Property
η	0.0003731	Pa×s	519.09	Joback Calculated Property
η	0.0001845	Pa×s	586.17	Joback Calculated Property
η	0.0001055	Pa×s	653.24	Joback Calculated Property
η	0.0000669	Pa×s	720.31	Joback Calculated Property
η	0.0000458	Pa×s	787.39	Joback Calculated Property
η	0.0000333	Pa×s	854.46	Joback Calculated Property
D*i	[0.00; 0.00]	m2/s	[293.43; 338.47]
D*i	0.00	m2/s	293.43	Self-diffusivity measurements of dimethyl, diethyl, dipropyl, dibutyl, Bis(2-ethylhexyl) adipates from (293 - 339) K by a PGSE-NMR spin-echo technique
D*i	0.00	m2/s	302.44	Self-diffusivity measurements of dimethyl, diethyl, dipropyl, dibutyl, Bis(2-ethylhexyl) adipates from (293 - 339) K by a PGSE-NMR spin-echo technique
D*i	0.00	m2/s	311.45	Self-diffusivity measurements of dimethyl, diethyl, dipropyl, dibutyl, Bis(2-ethylhexyl) adipates from (293 - 339) K by a PGSE-NMR spin-echo technique
D*i	0.00	m2/s	320.46	Self-diffusivity measurements of dimethyl, diethyl, dipropyl, dibutyl, Bis(2-ethylhexyl) adipates from (293 - 339) K by a PGSE-NMR spin-echo technique
D*i	0.00	m2/s	329.45	Self-diffusivity measurements of dimethyl, diethyl, dipropyl, dibutyl, Bis(2-ethylhexyl) adipates from (293 - 339) K by a PGSE-NMR spin-echo technique
D*i	0.00	m2/s	338.47	Self-diffusivity measurements of dimethyl, diethyl, dipropyl, dibutyl, Bis(2-ethylhexyl) adipates from (293 - 339) K by a PGSE-NMR spin-echo technique

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	440.20	K	0.10	NIST

Datasets

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
293.15	100.00	925.4
293.15	2510.00	926.9
293.15	5000.00	928.4
293.15	5010.00	928.4
293.15	7550.00	929.9
293.15	10010.00	931.3
293.15	15040.00	934.2
293.15	20020.00	937.0
293.15	30030.00	942.4
293.15	40010.00	947.4
293.15	50020.00	952.3
293.15	68030.00	960.4
313.15	100.00	910.3
313.15	2530.00	911.9
313.15	2540.00	911.9
313.15	5020.00	913.5
313.15	7540.00	915.2
313.15	10010.00	916.7
313.15	15010.00	919.8
313.15	20000.00	922.8
313.15	30030.00	928.7
313.15	40020.00	934.1
313.15	50010.00	939.3
313.15	68050.00	947.9
333.15	100.00	895.3
333.15	2500.00	897.1
333.15	2500.00	897.1
333.15	5000.00	898.8
333.15	7480.00	900.6
333.15	9990.00	902.3
333.15	14990.00	905.7
333.15	19970.00	908.9
333.15	30010.00	915.2
333.15	39990.00	921.0
333.15	50020.00	926.6
333.15	68010.00	935.8
353.15	100.00	880.4
353.15	2510.00	882.3
353.15	2500.00	882.3
353.15	5000.00	884.2
353.15	7510.00	886.1
353.15	10000.00	888.0
353.15	15010.00	891.7
353.15	20020.00	895.2
353.15	30030.00	902.0
353.15	40020.00	908.2
353.15	50010.00	914.1
353.15	68010.00	923.9
373.15	100.00	865.4
373.15	2510.00	867.5
373.15	2510.00	867.5
373.15	5020.00	869.7
373.15	7510.00	871.7
373.15	10010.00	873.8
373.15	14990.00	877.8
373.15	20000.00	881.6
373.15	30010.00	888.9
373.15	40000.00	895.6
373.15	50010.00	901.9
373.15	68000.00	912.3
293.15	100.00	925.4
293.15	5000.00	928.3
293.15	10020.00	931.3
293.15	20020.00	937.0
293.15	40020.00	947.4
293.15	68030.00	960.3
Reference

Similar Compounds

Find more compounds similar to Hexanedioic acid, bis(2-ethylhexyl) ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Density measurements of compressed dipropyl, dibutyl, bis(2-ethylhexyl) adipates from (293 to 373 K) at pressures up to about 68 MPa
• Self-diffusivity measurements of dimethyl, diethyl, dipropyl, dibutyl, Bis(2-ethylhexyl) adipates from (293 - 339) K by a PGSE-NMR spin-echo technique
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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.