Chemical Properties of Dibutyl adipate (CAS 105-99-7)

InChI

InChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3

InChI Key

XTJFFFGAUHQWII-UHFFFAOYSA-N

Formula

C14H26O4

SMILES

CCCCOC(=O)CCCCC(=O)OCCCC

Molecular Weight¹

258.35

CAS

105-99-7

Other Names

• 1,4-Butanedicarboxylic acid, di-n-butylester
• 3 PS
• 3PS
• Adimoll DB
• Cetiol B
• DBA
• DBA(dibutyl adipate)
• Dibutyl adipinate
• Dibutylester kyseliny adipove
• Hexanedioic acid, 1,6-dibutyl ester
• NSC 8086
• adipic acid di-n-butyl ester
• adipic acid, dibutyl ester
• butyl adipate
• di-n-butyl adipate
• dibutyl hexanedioate
• experimental tick repellent 3
• experimental tick repellent 3PS
• hexanedioic acid dibutyl ester
• hexanedioic acid, dibutyl ester
• polycizer W 260

• 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.
• D^*_i : Self diffusion coefficient (m²/s).
• 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. Similar Compounds
5. Sources

Physical Properties

Property	Value	Unit	Source
ΔfG°	-400.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-821.89	kJ/mol	Joback Calculated Property
ΔfusH°	37.59	kJ/mol	Joback Calculated Property
ΔvapH°	65.07	kJ/mol	Joback Calculated Property
log10WS	-3.41		Crippen Calculated Property
logPoct/wat	3.233		Crippen Calculated Property
McVol	223.000	ml/mol	McGowan Calculated Property
Pc	1639.10	kPa	Joback Calculated Property
Inp	[1727.00; 1766.00]
Inp	1727.00		NIST
Inp	1731.60		NIST
Inp	Outlier 1766.00		NIST
Inp	1731.00		NIST
Inp	1754.00		NIST
Inp	1731.00		NIST
Inp	1727.00		NIST
Inp	1734.00		NIST
Inp	1733.00		NIST
Inp	1734.00		NIST
Inp	1734.00		NIST
Inp	1730.00		NIST
Inp	1732.00		NIST
Inp	1730.00		NIST
Tboil	578.20	K	NIST
Tc	848.26	K	Joback Calculated Property
Tfus	391.86	K	Joback Calculated Property
Vc	0.868	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[622.19; 705.29]	J/mol×K	[672.30; 848.26]
Cp,gas	622.19	J/mol×K	672.30	Joback Calculated Property
Cp,gas	637.83	J/mol×K	701.63	Joback Calculated Property
Cp,gas	652.75	J/mol×K	730.95	Joback Calculated Property
Cp,gas	666.95	J/mol×K	760.28	Joback Calculated Property
Cp,gas	680.44	J/mol×K	789.61	Joback Calculated Property
Cp,gas	693.22	J/mol×K	818.93	Joback Calculated Property
Cp,gas	705.29	J/mol×K	848.26	Joback Calculated Property
η	[0.0001198; 0.0014859]	Pa×s	[391.86; 672.30]
η	0.0014859	Pa×s	391.86	Joback Calculated Property
η	0.0007810	Pa×s	438.60	Joback Calculated Property
η	0.0004646	Pa×s	485.34	Joback Calculated Property
η	0.0003028	Pa×s	532.08	Joback Calculated Property
η	0.0002115	Pa×s	578.82	Joback Calculated Property
η	0.0001558	Pa×s	625.56	Joback Calculated Property
η	0.0001198	Pa×s	672.30	Joback Calculated Property
ΔvapH	68.70	kJ/mol	499.00	NIST
Pvap	[1.80e-04; 0.03]	kPa	[313.20; 373.20]
Pvap	1.80e-04	kPa	313.20	Vapor P...
Pvap	3.00e-04	kPa	318.20	Vapor P...
Pvap	4.80e-04	kPa	323.20	Vapor P...
Pvap	7.90e-04	kPa	328.20	Vapor P...
Pvap	1.27e-03	kPa	333.30	Vapor P...
Pvap	2.02e-03	kPa	338.40	Vapor P...
Pvap	3.04e-03	kPa	343.10	Vapor P...
Pvap	4.67e-03	kPa	348.20	Vapor P...
Pvap	7.05e-03	kPa	353.20	Vapor P...
Pvap	0.01	kPa	358.20	Vapor P...
Pvap	0.01	kPa	363.20	Vapor P...
Pvap	0.02	kPa	368.20	Vapor P...
Pvap	0.03	kPa	373.20	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...

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
283.16	100.00	0.0074
283.16	1000.00	0.0075
283.17	5000.00	0.0079
283.17	10000.00	0.0084
283.15	15000.00	0.0090
283.16	20000.00	0.0095
283.15	30000.00	0.0106
283.15	40000.00	0.0120
293.15	100.00	0.0055
293.14	1000.00	0.0056
293.15	5000.00	0.0058
293.15	10000.00	0.0062
293.14	15000.00	0.0066
293.15	20000.00	0.0070
293.15	30000.00	0.0078
293.14	40000.00	0.0087
303.15	100.00	0.0042
303.16	1000.00	0.0043
303.15	5000.00	0.0045
303.15	10000.00	0.0048
303.15	15000.00	0.0050
303.15	20000.00	0.0053
303.15	30000.00	0.0059
303.15	40000.00	0.0066
313.15	100.00	0.0034
313.15	1000.00	0.0034
313.15	5000.00	0.0036
313.15	10000.00	0.0038
313.15	15000.00	0.0040
313.15	20000.00	0.0042
313.15	30000.00	0.0047
313.15	40000.00	0.0052
323.16	100.00	0.0027
323.15	1000.00	0.0028
323.15	5000.00	0.0029
323.15	10000.00	0.0031
323.15	15000.00	0.0032
323.15	20000.00	0.0034
323.15	30000.00	0.0038
323.15	40000.00	0.0041
333.15	100.00	0.0023
333.15	1000.00	0.0023
333.15	5000.00	0.0024
333.14	10000.00	0.0025
333.16	15000.00	0.0027
333.15	20000.00	0.0028
333.15	30000.00	0.0031
333.15	40000.00	0.0034
343.15	100.00	0.0019
343.15	1000.00	0.0020
343.15	5000.00	0.0020
343.15	10000.00	0.0021
343.15	15000.00	0.0023
343.15	20000.00	0.0024
343.15	30000.00	0.0026
343.15	40000.00	0.0029
353.15	100.00	0.0017
353.15	1000.00	0.0017
353.15	5000.00	0.0017
353.15	10000.00	0.0018
353.15	15000.00	0.0019
353.15	20000.00	0.0020
353.15	30000.00	0.0022
353.15	40000.00	0.0024
363.15	100.00	0.0014
363.15	1000.00	0.0015
363.17	5000.00	0.0015
363.16	10000.00	0.0016
363.15	15000.00	0.0017
363.15	20000.00	0.0018
363.15	30000.00	0.0019
363.15	40000.00	0.0021
Reference

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Viscosity, Pa*s - Liquid
303.15	1220.00	0.0042
303.14	1250.00	0.0042
303.15	1280.00	0.0042
303.15	1300.00	0.0042
303.14	1280.00	0.0042
303.15	1290.00	0.0042
303.14	2750.00	0.0043
303.15	2770.00	0.0043
303.14	2770.00	0.0043
303.14	2760.00	0.0043
303.15	5420.00	0.0044
303.14	5400.00	0.0044
303.14	5420.00	0.0044
303.15	5420.00	0.0044
303.14	5420.00	0.0044
303.14	5420.00	0.0044
303.15	7680.00	0.0045
303.14	7660.00	0.0045
303.15	7660.00	0.0045
303.15	7680.00	0.0045
303.15	7660.00	0.0045
303.15	7680.00	0.0045
303.14	7570.00	0.0045
303.14	7530.00	0.0045
303.15	7730.00	0.0045
303.14	10500.00	0.0047
303.14	10520.00	0.0047
303.14	10570.00	0.0047
303.15	10560.00	0.0047
303.15	15390.00	0.0050
303.15	15380.00	0.0050
303.15	15390.00	0.0050
303.15	15390.00	0.0050
303.14	20260.00	0.0053
303.14	20300.00	0.0053
303.14	20320.00	0.0052
303.15	30380.00	0.0058
303.15	30330.00	0.0058
303.15	30290.00	0.0058
303.15	30250.00	0.0058
303.15	30180.00	0.0058
303.15	30100.00	0.0058
303.15	40150.00	0.0064
303.15	40100.00	0.0064
303.15	40060.00	0.0064
303.15	39970.00	0.0065
303.15	49880.00	0.0071
303.15	49830.00	0.0071
303.15	49810.00	0.0071
303.15	49790.00	0.0071
303.14	65590.00	0.0083
303.15	65490.00	0.0083
303.15	65340.00	0.0083
313.14	1160.00	0.0034
313.14	1110.00	0.0034
313.14	1090.00	0.0034
313.14	1070.00	0.0034
313.14	2610.00	0.0034
313.14	2590.00	0.0034
313.14	2580.00	0.0034
313.14	2590.00	0.0034
313.14	2590.00	0.0034
313.14	2600.00	0.0034
313.15	5350.00	0.0035
313.15	5340.00	0.0035
313.15	5310.00	0.0035
313.15	5320.00	0.0035
313.15	5380.00	0.0035
313.15	5370.00	0.0035
313.15	5050.00	0.0035
313.14	5050.00	0.0035
313.15	5050.00	0.0035
313.14	5060.00	0.0035
313.15	7570.00	0.0036
313.14	7630.00	0.0036
313.15	7610.00	0.0036
313.15	7580.00	0.0036
313.15	10500.00	0.0037
313.14	10470.00	0.0037
313.15	10470.00	0.0037
313.15	10450.00	0.0037
313.14	15210.00	0.0039
313.15	15160.00	0.0039
313.15	15180.00	0.0039
313.15	15160.00	0.0039
313.14	15150.00	0.0039
313.14	15150.00	0.0039
313.14	20440.00	0.0041
313.14	20300.00	0.0041
313.14	20430.00	0.0041
313.15	20420.00	0.0041
313.14	30180.00	0.0046
313.14	30160.00	0.0046
313.15	30200.00	0.0046
313.14	30190.00	0.0046
313.14	30180.00	0.0046
313.15	30150.00	0.0046
313.14	40330.00	0.0050
313.14	40290.00	0.0050
313.14	40270.00	0.0050
313.14	40210.00	0.0050
313.14	50610.00	0.0056
313.14	50580.00	0.0056
313.14	50590.00	0.0056
313.14	50640.00	0.0056
313.14	50610.00	0.0056
313.14	50610.00	0.0056
313.14	65110.00	0.0064
313.14	65090.00	0.0064
323.14	1140.00	0.0027
323.15	1130.00	0.0027
323.15	1130.00	0.0027
323.14	1140.00	0.0027
323.15	2650.00	0.0028
323.15	2650.00	0.0028
323.15	2640.00	0.0028
323.15	2630.00	0.0028
323.15	5100.00	0.0029
323.15	5070.00	0.0029
323.14	5040.00	0.0029
323.15	5040.00	0.0029
323.15	5170.00	0.0028
323.15	5180.00	0.0028
323.16	5190.00	0.0028
323.15	5190.00	0.0028
323.15	7760.00	0.0029
323.15	7760.00	0.0029
323.15	7740.00	0.0029
323.15	7750.00	0.0029
323.15	7740.00	0.0029
323.14	10170.00	0.0030
323.15	10140.00	0.0030
323.15	10150.00	0.0030
323.15	10130.00	0.0030
323.15	10150.00	0.0030
323.15	15230.00	0.0032
323.15	15220.00	0.0032
323.15	15230.00	0.0032
323.15	15220.00	0.0032
323.15	15220.00	0.0032
323.15	20270.00	0.0033
323.15	20250.00	0.0033
323.15	20230.00	0.0033
323.15	20230.00	0.0033
323.15	20200.00	0.0033
323.14	30230.00	0.0037
323.14	30230.00	0.0037
323.14	30230.00	0.0037
323.15	30220.00	0.0037
323.15	30190.00	0.0037
323.14	40050.00	0.0041
323.15	40130.00	0.0041
323.15	40140.00	0.0041
323.14	39990.00	0.0041
323.15	50050.00	0.0044
323.15	50060.00	0.0045
323.15	50030.00	0.0045
323.16	65310.00	0.0051
323.16	65230.00	0.0051
323.16	65190.00	0.0051
323.16	65110.00	0.0051
333.15	1000.00	0.0023
333.15	1170.00	0.0023
333.15	1020.00	0.0023
333.15	1200.00	0.0023
333.15	2530.00	0.0023
333.16	2490.00	0.0023
333.16	2580.00	0.0023
333.15	5100.00	0.0024
333.15	5090.00	0.0024
333.15	5100.00	0.0024
333.15	5030.00	0.0024
333.15	5050.00	0.0024
333.15	5070.00	0.0024
333.15	5220.00	0.0024
333.16	5220.00	0.0024
333.15	5210.00	0.0024
333.15	5210.00	0.0024
333.16	7780.00	0.0024
333.15	7800.00	0.0024
333.15	7790.00	0.0024
333.15	7790.00	0.0024
333.15	10160.00	0.0025
333.15	10100.00	0.0025
333.15	10120.00	0.0025
333.15	10130.00	0.0025
333.15	15260.00	0.0026
333.15	15240.00	0.0026
333.15	15150.00	0.0026
333.15	14860.00	0.0026
333.15	20250.00	0.0028
333.15	20290.00	0.0028
333.15	20260.00	0.0028
333.15	20270.00	0.0028
333.15	30130.00	0.0031
333.15	30230.00	0.0030
333.15	29840.00	0.0031
333.15	29880.00	0.0030
333.15	30150.00	0.0030
333.15	40080.00	0.0033
333.15	40070.00	0.0033
333.15	39970.00	0.0033
333.15	40020.00	0.0033
333.15	50000.00	0.0036
333.15	50000.00	0.0036
333.15	50000.00	0.0036
333.15	49990.00	0.0036
333.15	61660.00	0.0041
333.15	61480.00	0.0041
333.15	61600.00	0.0041
333.15	61450.00	0.0041
343.15	1260.00	0.0019
343.15	1100.00	0.0019
343.15	1100.00	0.0019
343.15	1170.00	0.0019
343.15	1240.00	0.0019
343.15	1260.00	0.0019
343.15	2580.00	0.0019
343.15	2500.00	0.0019
343.15	2500.00	0.0019
343.15	2530.00	0.0019
343.15	2520.00	0.0019
343.15	2480.00	0.0019
343.15	4960.00	0.0020
343.15	4970.00	0.0020
343.15	4980.00	0.0020
343.15	4990.00	0.0020
343.15	7500.00	0.0021
343.15	7520.00	0.0021
343.15	7510.00	0.0021
343.15	7510.00	0.0021
343.15	10030.00	0.0021
343.15	10090.00	0.0021
343.15	10040.00	0.0021
343.15	10040.00	0.0021
343.15	15260.00	0.0022
343.15	15240.00	0.0022
343.15	15220.00	0.0022
343.15	20270.00	0.0023
343.15	20210.00	0.0023
343.15	20280.00	0.0023
343.15	20240.00	0.0023
343.14	20120.00	0.0023
343.14	20120.00	0.0023
343.15	20040.00	0.0023
343.15	20160.00	0.0023
343.15	30130.00	0.0026
343.15	30090.00	0.0026
343.15	30150.00	0.0026
343.15	30160.00	0.0026
343.15	30150.00	0.0026
343.15	30140.00	0.0026
343.15	39830.00	0.0028
343.14	39830.00	0.0028
343.14	39860.00	0.0028
343.14	39870.00	0.0028
343.14	39840.00	0.0028
343.14	39880.00	0.0028
343.15	50080.00	0.0031
343.15	50080.00	0.0031
343.15	65620.00	0.0035
343.15	65610.00	0.0035
343.14	65480.00	0.0035
343.14	65500.00	0.0035
358.16	1080.00	0.0015
358.16	1090.00	0.0015
358.16	1090.00	0.0015
358.16	1090.00	0.0015
358.16	1090.00	0.0015
358.15	2510.00	0.0016
358.16	2540.00	0.0016
358.16	2540.00	0.0016
358.16	2510.00	0.0016
358.15	2520.00	0.0016
358.15	2520.00	0.0016
358.15	5240.00	0.0016
358.16	5240.00	0.0016
358.16	5180.00	0.0016
358.16	5200.00	0.0016
358.15	5050.00	0.0016
358.15	5050.00	0.0016
358.15	5060.00	0.0016
358.15	5060.00	0.0016
358.16	7560.00	0.0016
358.16	7560.00	0.0016
358.16	7560.00	0.0016
358.16	7560.00	0.0016
358.16	7560.00	0.0016
358.15	9930.00	0.0017
358.15	10010.00	0.0017
358.15	15060.00	0.0018
358.15	15060.00	0.0018
358.15	15060.00	0.0018
358.15	15130.00	0.0018
358.15	15100.00	0.0018
358.15	20130.00	0.0019
358.16	20130.00	0.0019
358.16	20120.00	0.0019
358.16	20120.00	0.0019
358.16	20160.00	0.0019
358.15	30290.00	0.0020
358.15	30320.00	0.0020
358.15	30290.00	0.0020
358.15	30310.00	0.0020
358.15	30300.00	0.0020
358.15	30280.00	0.0020
358.16	40080.00	0.0022
358.15	39990.00	0.0022
358.15	40010.00	0.0022
358.15	40060.00	0.0022
358.15	40040.00	0.0022
358.15	39960.00	0.0022
358.16	50160.00	0.0024
358.16	50170.00	0.0024
358.16	50170.00	0.0024
358.16	50160.00	0.0024
358.16	50170.00	0.0024
358.16	65550.00	0.0028
358.16	65550.00	0.0028
358.16	65550.00	0.0028
358.16	65550.00	0.0028
373.15	1160.00	0.0013
373.15	1120.00	0.0013
373.15	1060.00	0.0013
373.15	1060.00	0.0013
373.14	2490.00	0.0013
373.15	2600.00	0.0013
373.15	2590.00	0.0013
373.15	5080.00	0.0013
373.15	5080.00	0.0013
373.15	5080.00	0.0013
373.15	5080.00	0.0013
373.15	7610.00	0.0013
373.15	7600.00	0.0013
373.15	7600.00	0.0013
373.15	7600.00	0.0013
373.15	10130.00	0.0014
373.14	10000.00	0.0014
373.15	10130.00	0.0014
373.14	10000.00	0.0014
373.15	10090.00	0.0014
373.14	15050.00	0.0014
373.14	15040.00	0.0014
373.15	15070.00	0.0014
373.15	15060.00	0.0014
373.15	20220.00	0.0015
373.15	20230.00	0.0015
373.15	20250.00	0.0015
373.15	20220.00	0.0015
373.15	29920.00	0.0017
373.15	30000.00	0.0017
373.14	29940.00	0.0017
373.15	29980.00	0.0017
373.15	50030.00	0.0020
373.15	50030.00	0.0020
373.15	50030.00	0.0020
373.15	50030.00	0.0020
373.15	50030.00	0.0020
373.15	65350.00	0.0022
373.15	65350.00	0.0022
373.15	65350.00	0.0022
Reference

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
293.15	100.00	960.6
293.15	100.00	960.6
293.15	2510.00	962.2
293.15	2510.00	962.2
293.15	4990.00	963.7
293.15	7510.00	965.3
293.15	9990.00	966.9
293.15	15010.00	969.9
293.15	20000.00	972.9
293.15	29990.00	978.6
293.15	39800.00	983.9
293.15	50020.00	989.1
293.15	68080.00	997.3
313.15	100.00	943.7
313.15	2500.00	945.4
313.15	2500.00	945.4
313.15	5020.00	947.2
313.15	7510.00	948.9
313.15	9990.00	950.5
313.15	15000.00	953.9
313.15	20000.00	957.1
313.15	30010.00	963.3
313.15	39810.00	969.0
313.15	50000.00	974.6
313.15	67990.00	983.8
333.15	100.00	926.8
333.15	2500.00	928.7
333.15	2500.00	928.7
333.15	5010.00	930.6
333.15	7520.00	932.5
333.15	10010.00	934.3
333.15	15040.00	938.0
333.15	20000.00	941.4
333.15	30030.00	948.2
333.15	39800.00	954.3
333.15	50030.00	960.4
333.15	68030.00	970.2
353.15	100.00	909.9
353.15	2510.00	912.0
353.15	2510.00	912.0
353.15	5000.00	914.1
353.15	7530.00	916.2
353.15	10010.00	918.2
353.15	15000.00	922.2
353.15	20000.00	926.0
353.15	30010.00	933.3
353.15	39840.00	939.9
353.15	49990.00	946.4
353.15	67990.00	956.9
373.15	100.00	893.0
373.15	2490.00	895.3
373.15	2500.00	895.3
373.15	5020.00	897.6
373.15	7510.00	899.9
373.15	10010.00	902.1
373.15	15010.00	906.5
373.15	19980.00	910.6
373.15	30010.00	918.5
373.15	39810.00	925.7
373.15	50000.00	932.6
373.15	68010.00	943.8
293.15	100.00	960.6
293.15	10000.00	966.9
293.15	5000.00	963.7
293.15	20000.00	972.9
293.15	39860.00	983.8
293.15	68090.00	997.7
Reference

Similar Compounds

Find more compounds similar to Dibutyl adipate.

Sources

• Crippen Method
• Crippen Method
• Viscosity Measurements of Dialkyl Adipates in the Temperature Range of (283 to 363) K and up to 40 MPa
• Density measurements of compressed dipropyl, dibutyl, bis(2-ethylhexyl) adipates from (293 to 373 K) at pressures up to about 68 MPa
• Viscosity measurements of compressed liquid dipropyl and dibutyl adipates
• Self-diffusivity measurements of dimethyl, diethyl, dipropyl, dibutyl, Bis(2-ethylhexyl) adipates from (293 - 339) K by a PGSE-NMR spin-echo technique
• Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
• Joback 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.
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