Bis(2-ethylhexyl) phthalate (CAS 117-81-7)

InChI

InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3

InChI Key

BJQHLKABXJIVAM-UHFFFAOYSA-N

Formula

C24H38O4

SMILES

CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC

Molecular Weight¹

390.56

CAS

117-81-7

Other Names

1,2-Benzenedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester
1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester
2-Ethylhexyl phthalate
BEHP
BIS (2-ETHYLHEXYL) PHTHALATE
Bis(2-ethylhexyl) 1,2-benzenedicarboxylate
Bis(2-ethylhexyl) o-phthalate
Bis(2-ethylhexyl)ester phthalic acid
Bis-(2-ethylhexyl)ester kyseliny ftalove
Bis-(2-ethylhexyl)ester kyseliny ftalove (Czech)
Bisoflex 81
Bisoflex DOP
Celluflex DOP
Compound 889
Corflex 400
DAF 68
DEHP
DIOCTYL PHTHALATE
DOF
DOP
Di(2-ethylhexyl) o-phthalate
Di(2-ethylhexyl) phthalate
Di(2-ethylhexyl)-phthalate
Di(2-ethylhexyl)orthophthalate
Di(ethylhexyl) phthalate
Di-sec-octyl phthalate
Ergoplast FDO
Ergoplast FDO-S
Ethylhexyl phthalate
Eviplast 80
Eviplast 81
Fleximel
Flexol DOP
Flexol plasticizer DOP
Good-rite GP 264
Hatco DOP
Hatcol dop
Hercoflex 260
Jayflex DOP
Kodaflex DOP
Merrol DOP
Mollan O
Monocizer DOP
NCI-C52733
Nuoplaz DOP
Octoil
Octyl phthalate
PX-138
Palatinol AH
Palatinol AH-L
Palatinol DOP
Phthalic acid di(2-ethylhexyl) ester
Phthalic acid dioctyl ester
Phthalic acid, bis(2-ethylhexyl) ester
Pittsburgh PX-138
Plasthall DOP
Platinol AH
Platinol DOP
Polycizer DOP
RC plasticizer DOP
RCRA Waste number U028
Reomol D 79P
Reomol DOP
Sansocizer DOP
Sicol 150
Staflex DOP
Truflex DOP
Union carbide flexol 380
Vestinol AH
Vinicizer 80
Vinycizer 80
Witcizer 312
bis(2-ethylhexyl) benzene-1,2-dicarboxylate
etalon
sconamoll DOP

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).
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).
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).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties
Temperature Dependent Properties
Datasets
Correlations
Similar Compounds
Mixtures
Sources

Physical Properties

Property	Value	Unit	Source
Δ_fG°	-218.74	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-813.79	kJ/mol	Joback Calculated Property
Δ_fusH°	50.10	kJ/mol	Joback Calculated Property
Δ_vapH°	89.49	kJ/mol	Joback Calculated Property
log₁₀WS	[-7.06; -6.96]
log₁₀WS	-7.06		Aq. Sol...
log₁₀WS	-6.96		Estimat...
logP_oct/wat	6.433		Crippen Calculated Property
McVol	340.140	ml/mol	McGowan Calculated Property
P_c	1070.00	kPa	Critica...
I_np	[402.20; 2552.00]
I_np	2492.60		NIST
I_np	2509.00		NIST
I_np	2507.00		NIST
I_np	2499.40		NIST
I_np	2499.00		NIST
I_np	2499.00		NIST
I_np	2505.00		NIST
I_np	2546.00		NIST
I_np	2488.00		NIST
I_np	2498.00		NIST
I_np	2552.00		NIST
I_np	2539.00		NIST
I_np	2544.00		NIST
I_np	2551.00		NIST
I_np	2509.00		NIST
I_np	2550.00		NIST
I_np	2519.00		NIST
I_np	2504.00		NIST
I_np	2505.00		NIST
I_np	2506.00		NIST
I_np	2480.00		NIST
I_np	2505.00		NIST
I_np	2506.00		NIST
I_np	2509.00		NIST
I_np	2506.00		NIST
I_np	2507.00		NIST
I_np	Outlier 418.60		NIST
I_np	Outlier 418.70		NIST
I_np	Outlier 402.20		NIST
I_np	Outlier 406.14		NIST
I_np	Outlier 406.15		NIST
I_np	2488.00		NIST
I_np	2505.00		NIST
I_np	2492.60		NIST
I_np	Outlier 418.60		NIST
I_np	2499.40		NIST
I_np	2507.00		NIST
I_np	Outlier 406.14		NIST
I_np	2539.00		NIST
I_np	2519.00		NIST
I	[3106.00; 3106.00]
I	3106.00		NIST
I	3106.00		NIST
I	3106.00		NIST
I	3106.00		NIST
I	3106.00		NIST
S°_liquid	[755.20; 807.70]	J/mol×K
S°_liquid	807.70	J/mol×K	NIST
S°_liquid	755.20	J/mol×K	NIST
T_boil	657.20	K	NIST
T_c	1142.43	K	Joback Calculated Property
T_fus	219.82	K	Aq. Sol...
V_c	1.308	m³/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[1120.29; 1202.19]	J/mol×K	[931.88; 1142.43]

C_p,gas	1120.29	J/mol×K	931.88	Joback Calculated Property
C_p,gas	1137.32	J/mol×K	966.97	Joback Calculated Property
C_p,gas	1152.94	J/mol×K	1002.06	Joback Calculated Property
C_p,gas	1167.20	J/mol×K	1037.16	Joback Calculated Property
C_p,gas	1180.14	J/mol×K	1072.25	Joback Calculated Property
C_p,gas	1191.79	J/mol×K	1107.34	Joback Calculated Property
C_p,gas	1202.19	J/mol×K	1142.43	Joback Calculated Property
C_p,liquid	[669.40; 704.70]	J/mol×K	[298.15; 300.00]
C_p,liquid	704.70	J/mol×K	298.15	NIST
C_p,liquid	669.40	J/mol×K	300.00	NIST
η	[0.0061990; 0.1107000]	Pa×s	[288.53; 353.68]

η	0.1107000	Pa×s	288.53	Measure...
η	0.0787300	Pa×s	293.38	Measure...
η	0.0579400	Pa×s	298.29	Measure...
η	0.0432700	Pa×s	303.33	Measure...
η	0.0331700	Pa×s	308.23	Measure...
η	0.0261300	Pa×s	313.18	Measure...
η	0.0210800	Pa×s	317.99	Measure...
η	0.0169600	Pa×s	323.02	Measure...
η	0.0139100	Pa×s	328.12	Measure...
η	0.0116200	Pa×s	333.19	Measure...
η	0.0099030	Pa×s	337.71	Measure...
η	0.0082680	Pa×s	343.53	Measure...
η	0.0071580	Pa×s	348.48	Measure...
η	0.0061990	Pa×s	353.68	Measure...
Δ_vapH	[102.50; 116.90]	kJ/mol	[298.00; 516.50]
Δ_vapH	116.90	kJ/mol	298.00	A Compa...
Δ_vapH	110.70	kJ/mol	412.50	NIST
Δ_vapH	102.50	kJ/mol	516.50	NIST
P_vap	[8.00e-03; 0.19]	kPa	[423.15; 473.15]

P_vap	8.00e-03	kPa	423.15	Vapor P...
P_vap	0.02	kPa	433.15	Vapor P...
P_vap	0.03	kPa	443.15	Vapor P...
P_vap	0.04	kPa	448.15	Vapor P...
P_vap	0.07	kPa	453.15	Vapor P...
P_vap	0.12	kPa	463.15	Vapor P...
P_vap	0.19	kPa	473.15	Vapor P...
ρ_l	[931.85; 998.82]	kg/m³	[273.15; 363.15]

ρ_l	998.82	kg/m³	273.15	Tempera...
ρ_l	995.01	kg/m³	278.15	Tempera...
ρ_l	991.26	kg/m³	283.15	Tempera...
ρ_l	983.87	kg/m³	293.15	Tempera...
ρ_l	980.15	kg/m³	298.15	Tempera...
ρ_l	976.42	kg/m³	303.15	Tempera...
ρ_l	968.98	kg/m³	313.15	Tempera...
ρ_l	961.53	kg/m³	323.15	Tempera...
ρ_l	954.11	kg/m³	333.15	Tempera...
ρ_l	946.68	kg/m³	343.15	Tempera...
ρ_l	939.27	kg/m³	353.15	Tempera...
ρ_l	931.85	kg/m³	363.15	Tempera...
D^*_i	[0.00; 0.00]	m²/s	[303.18; 362.75]

D^*_i	0.00	m²/s	303.18	Viscous...
D^*_i	0.00	m²/s	312.89	Viscous...
D^*_i	0.00	m²/s	322.70	Viscous...
D^*_i	0.00	m²/s	322.84	Viscous...
D^*_i	0.00	m²/s	322.88	Viscous...
D^*_i	0.00	m²/s	323.03	Viscous...
D^*_i	0.00	m²/s	323.05	Viscous...
D^*_i	0.00	m²/s	333.16	Viscous...
D^*_i	0.00	m²/s	333.20	Viscous...
D^*_i	0.00	m²/s	343.65	Viscous...
D^*_i	0.00	m²/s	343.70	Viscous...
D^*_i	0.00	m²/s	352.86	Viscous...
D^*_i	0.00	m²/s	352.88	Viscous...
D^*_i	0.00	m²/s	362.72	Viscous...
D^*_i	0.00	m²/s	362.75	Viscous...

Datasets

Molar heat capacity at constant pressure, J/K/mol (1)
Mass density, kg/m3 (1)

Molar heat capacity at constant pressure, J/K/mol

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Molar heat capacity at constant pressure, J/K/mol - Liquid
293.15	100.00	703.00
293.15	10000.00	701.50
293.15	20000.00	699.90
293.15	30000.00	699.60
313.15	100.00	726.90
313.15	10000.00	724.90
313.15	20000.00	723.00
313.15	30000.00	722.00
333.15	100.00	751.30
333.15	10000.00	750.00
333.15	20000.00	747.50
333.15	30000.00	746.00
353.15	100.00	774.50
353.15	10000.00	770.50
353.15	20000.00	767.90
353.15	30000.00	763.40
Reference

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
373.29	3800.00	921.0
373.29	7600.00	924.0
373.29	12200.00	928.0
373.29	15900.00	931.0
373.29	18100.00	933.0
373.29	22300.00	936.0
373.29	28300.00	940.0
373.29	34800.00	945.0
373.29	42200.00	950.0
373.29	48900.00	954.0
373.29	56100.00	959.0
373.29	69500.00	967.0
373.29	83700.00	974.0
373.29	104200.00	984.0
373.29	125400.00	994.0
373.29	138900.00	1001.0
373.29	152900.00	1007.0
373.29	174400.00	1015.0
373.29	208300.00	1029.0
373.29	240000.00	1041.0
373.29	262100.00	1046.0
423.53	4200.00	878.0
423.53	7900.00	885.0
423.53	11100.00	890.0
423.53	14500.00	895.0
423.53	18000.00	898.0
423.53	21200.00	901.0
423.53	27800.00	908.0
423.53	35200.00	914.0
423.53	42100.00	918.0
423.53	49200.00	924.0
423.53	55700.00	930.0
423.53	70700.00	939.0
423.53	83700.00	948.0
423.53	104200.00	960.0
423.53	125400.00	970.0
423.53	139900.00	977.0
423.53	153700.00	983.0
423.53	173400.00	992.0
423.53	207100.00	1006.0
423.53	239400.00	1018.0
423.53	263800.00	1028.0
476.20	5500.00	847.0
476.20	9500.00	853.0
476.20	9400.00	853.0
476.20	15700.00	861.0
476.20	15200.00	861.0
476.20	15200.00	861.0
476.20	27500.00	874.0
476.20	27300.00	874.0
476.20	26800.00	874.0
476.20	46900.00	894.0
476.20	46700.00	894.0
476.20	59800.00	905.0
476.20	71500.00	913.0
476.20	70700.00	914.0
476.20	96400.00	931.0
476.20	95700.00	931.0
476.20	114800.00	942.0
476.20	114200.00	942.0
476.20	140400.00	958.0
476.20	139800.00	959.0
476.20	176200.00	975.0
476.20	206900.00	990.0
476.20	240200.00	1002.0
476.20	269000.00	1013.0
491.86	3900.00	830.0
491.86	4100.00	830.0
491.86	3900.00	831.0
491.86	10500.00	839.0
491.86	9900.00	840.0
491.86	23300.00	856.0
491.86	23300.00	856.0
491.86	22800.00	856.0
491.86	37500.00	870.0
491.86	37200.00	870.0
491.86	51100.00	885.0
491.86	50700.00	886.0
491.86	71500.00	902.0
491.86	71900.00	902.0
491.86	95000.00	918.0
491.86	94800.00	918.0
491.86	121700.00	934.0
491.86	121800.00	934.0
491.86	145400.00	948.0
491.86	145600.00	948.0
491.86	177200.00	964.0
491.86	177400.00	964.0
491.86	204300.00	977.0
491.86	206000.00	978.0
491.86	230800.00	988.0
491.86	229400.00	989.0
491.86	253700.00	998.0
491.86	258100.00	1000.0
523.60	5700.00	811.0
523.60	9200.00	817.0
523.60	9200.00	817.0
523.60	16100.00	827.0
523.60	16100.00	827.0
523.60	21600.00	835.0
523.60	21600.00	835.0
523.60	27500.00	842.0
523.60	27300.00	842.0
523.60	35700.00	851.0
523.60	35500.00	851.0
523.60	44400.00	860.0
523.60	44600.00	860.0
523.60	44300.00	860.0
523.60	44200.00	860.0
523.60	56300.00	871.0
523.60	55800.00	871.0
523.60	68900.00	882.0
523.60	68500.00	882.0
523.60	82500.00	892.0
523.60	82200.00	893.0
523.60	97300.00	903.0
523.60	97000.00	903.0
523.60	117000.00	916.0
523.60	117700.00	916.0
523.60	117400.00	916.0
523.60	155700.00	939.0
523.60	156100.00	939.0
523.60	181500.00	952.0
523.60	181200.00	952.0
523.60	209500.00	964.0
523.60	209900.00	964.0
523.60	233900.00	974.0
523.60	234000.00	974.0
523.60	253600.00	983.0
523.60	253400.00	983.0
523.60	263500.00	987.0
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.65]	kPa	[512.02; 762.10]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.26088e+01
Coefficient B			-4.47566e+03
Coefficient C			-1.48765e+02
Temperature range, min.			512.02
Temperature range, max.			762.10

P_vap	1.33	kPa	512.02	Calculated Property
P_vap	3.20	kPa	539.81	Calculated Property
P_vap	6.84	kPa	567.59	Calculated Property
P_vap	13.30	kPa	595.38	Calculated Property
P_vap	23.91	kPa	623.17	Calculated Property
P_vap	40.30	kPa	650.95	Calculated Property
P_vap	64.31	kPa	678.74	Calculated Property
P_vap	97.95	kPa	706.53	Calculated Property
P_vap	143.34	kPa	734.31	Calculated Property
P_vap	202.65	kPa	762.10	Calculated Property
P_vap	[9.39e-09; 1155.41]	kPa	[298.00; 806.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + Cln(T) + DT^2
Coefficient A			1.60562e+02
Coefficient B			-2.04275e+04
Coefficient C			-1.94419e+01
Coefficient D			2.98773e-06
Temperature range, min.			298.00
Temperature range, max.			806.00

P_vap	9.39e-09	kPa	298.00	Calculated Property
P_vap	1.98e-05	kPa	354.44	Calculated Property
P_vap	3.50e-03	kPa	410.89	Calculated Property
P_vap	0.13	kPa	467.33	Calculated Property
P_vap	1.92	kPa	523.78	Calculated Property
P_vap	14.08	kPa	580.22	Calculated Property
P_vap	64.50	kPa	636.67	Calculated Property
P_vap	211.11	kPa	693.11	Calculated Property
P_vap	540.72	kPa	749.56	Calculated Property
P_vap	1155.41	kPa	806.00	Calculated Property

Similar Compounds

Find more compounds similar to Bis(2-ethylhexyl) phthalate.

Mixtures

Sources

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Chemical Properties of Bis(2-ethylhexyl) phthalate (CAS 117-81-7)

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