Chemical Properties of Hexanedioic acid, dipropyl ester (CAS 106-19-4)

InChI

InChI=1S/C12H22O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-10H2,1-2H3

InChI Key

NKOUWLLFHNBUDW-UHFFFAOYSA-N

Formula

C12H22O4

SMILES

CCCOC(=O)CCCCC(=O)OCCC

Molecular Weight¹

230.30

CAS

106-19-4

Other Names

• Adipic acid di-n-propyl ester
• Di-n-Propyl adipate
• adipic acid, dipropyl ester
• dipropyl adipate
• dipropyl hexanedioate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• 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
ω	0.7708		Relay (1.0) Calculated Property
ΔfH°gas	-923.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.57	kJ/mol	Joback Calculated Property
ΔvapH°	72.01	kJ/mol	Relay (1.0) Calculated Property
IE	9.59	eV	Relay (1.0) Calculated Property
log10WS	-2.54		Relay (1.0) Calculated Property
logPoct/wat	2.453		Crippen Calculated Property
McVol	194.820	ml/mol	McGowan Calculated Property
Pc	1795.46	kPa	Joback Calculated Property
Inp	[1540.00; 1588.00]
Inp	1554.00		NIST
Inp	1569.00		NIST
Inp	1554.00		NIST
Inp	1545.00		NIST
Inp	1577.00		NIST
Inp	Outlier 1588.00		NIST
Inp	1544.00		NIST
Inp	1545.00		NIST
Inp	1543.00		NIST
Inp	1569.00		NIST
Inp	1540.00		NIST
Inp	1545.00		NIST
Inp	1544.00		NIST
Tboil	543.01	K	Relay (1.0) Calculated Property
Tc	699.33	K	Relay (1.0) Calculated Property
Tfus	244.14	K	Relay (1.0) Calculated Property
Vc	0.761	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[503.80; 583.63]	J/mol×K	[590.60; 763.05]
Cp,gas	503.80	J/mol×K	590.60	Joback Calculated Property
Cp,gas	518.78	J/mol×K	619.34	Joback Calculated Property
Cp,gas	533.09	J/mol×K	648.08	Joback Calculated Property
Cp,gas	546.72	J/mol×K	676.83	Joback Calculated Property
Cp,gas	559.69	J/mol×K	705.57	Joback Calculated Property
Cp,gas	571.99	J/mol×K	734.31	Joback Calculated Property
Cp,gas	583.63	J/mol×K	763.05	Joback Calculated Property
η	[0.0001277; 0.0038638]	Pa×s	[309.66; 590.60]
η	0.0038638	Pa×s	309.66	Joback Calculated Property
η	0.0015070	Pa×s	356.48	Joback Calculated Property
η	0.0007314	Pa×s	403.31	Joback Calculated Property
η	0.0004126	Pa×s	450.13	Joback Calculated Property
η	0.0002592	Pa×s	496.95	Joback Calculated Property
η	0.0001765	Pa×s	543.78	Joback Calculated Property
η	0.0001277	Pa×s	590.60	Joback Calculated Property
ΔvapH	63.60	kJ/mol	476.50	NIST
Pvap	[1.73e-03; 0.06]	kPa	[318.80; 365.30]
Pvap	1.73e-03	kPa	318.80	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	2.22e-03	kPa	321.70	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	2.60e-03	kPa	323.50	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	3.67e-03	kPa	327.40	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	6.02e-03	kPa	333.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	7.65e-03	kPa	336.10	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	9.72e-03	kPa	339.10	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.01	kPa	342.10	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.02	kPa	345.50	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.02	kPa	348.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.03	kPa	351.50	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.03	kPa	354.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.04	kPa	357.10	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.05	kPa	361.20	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
Pvap	0.06	kPa	365.30	Vapor Pressures and Enthalpies of Vaporization of a Series of the Symmetric Linear n-Alkyl Esters of Dicarboxylic Acids
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

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	0.0062
283.15	1000.00	0.0062
283.15	5000.00	0.0065
283.15	10000.00	0.0069
283.15	15000.00	0.0074
283.15	20000.00	0.0078
283.15	30000.00	0.0088
283.15	40000.00	0.0098
293.15	100.00	0.0046
293.14	1000.00	0.0047
293.15	5000.00	0.0049
293.15	10000.00	0.0052
293.15	15000.00	0.0055
293.15	20000.00	0.0058
293.15	30000.00	0.0064
293.15	40000.00	0.0072
303.15	100.00	0.0036
303.15	1000.00	0.0036
303.15	5000.00	0.0038
303.15	10000.00	0.0040
303.15	15000.00	0.0042
303.15	20000.00	0.0044
303.15	30000.00	0.0049
303.15	40000.00	0.0055
313.15	100.00	0.0029
313.15	1000.00	0.0029
313.15	5000.00	0.0030
313.15	10000.00	0.0032
313.15	15000.00	0.0033
313.15	20000.00	0.0035
313.15	30000.00	0.0039
313.15	40000.00	0.0043
323.15	100.00	0.0023
323.15	1000.00	0.0024
323.15	5000.00	0.0025
323.14	10000.00	0.0026
323.15	15000.00	0.0027
323.15	20000.00	0.0029
323.15	30000.00	0.0032
323.15	40000.00	0.0035
333.15	100.00	0.0020
333.15	1000.00	0.0020
333.15	5000.00	0.0021
333.15	10000.00	0.0022
333.15	15000.00	0.0023
333.15	20000.00	0.0024
333.15	30000.00	0.0026
333.15	40000.00	0.0029
343.15	100.00	0.0017
343.15	1000.00	0.0017
343.15	5000.00	0.0017
343.15	10000.00	0.0018
343.15	15000.00	0.0019
343.15	20000.00	0.0020
343.15	30000.00	0.0022
343.15	40000.00	0.0024
353.15	100.00	0.0014
353.15	1000.00	0.0014
353.15	5000.00	0.0015
353.15	10000.00	0.0016
353.15	15000.00	0.0017
353.15	20000.00	0.0017
353.15	30000.00	0.0019
353.15	40000.00	0.0021
363.15	100.00	0.0012
363.15	1000.00	0.0013
363.15	5000.00	0.0013
363.15	10000.00	0.0014
363.15	15000.00	0.0014
363.15	20000.00	0.0015
363.15	30000.00	0.0016
363.15	40000.00	0.0018
Reference

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Viscosity, Pa*s - Liquid
303.14	1140.00	0.0036
303.14	1110.00	0.0036
303.14	1110.00	0.0036
303.15	2810.00	0.0037
303.15	2820.00	0.0037
303.15	2810.00	0.0037
303.14	5220.00	0.0038
303.14	5220.00	0.0038
303.14	5210.00	0.0038
303.15	10310.00	0.0040
303.15	10320.00	0.0040
303.15	10310.00	0.0040
303.15	15310.00	0.0042
303.15	15260.00	0.0042
303.15	15230.00	0.0042
303.14	18290.00	0.0043
303.14	18290.00	0.0043
303.14	18280.00	0.0043
313.16	1200.00	0.0029
313.16	1220.00	0.0029
313.16	1210.00	0.0029
313.15	2710.00	0.0029
313.16	2700.00	0.0029
313.15	2710.00	0.0029
313.16	5190.00	0.0030
313.16	5180.00	0.0030
313.16	5180.00	0.0030
313.16	10490.00	0.0032
313.16	10480.00	0.0032
313.16	10460.00	0.0032
313.15	15330.00	0.0034
313.15	15330.00	0.0034
313.15	15330.00	0.0034
313.16	18290.00	0.0034
313.15	18290.00	0.0034
313.15	18290.00	0.0034
323.15	1180.00	0.0024
323.15	1170.00	0.0024
323.15	1160.00	0.0024
323.16	2720.00	0.0024
323.16	2710.00	0.0024
323.16	2710.00	0.0024
323.16	5270.00	0.0025
323.16	5270.00	0.0025
323.16	5260.00	0.0025
323.17	10210.00	0.0026
323.17	10220.00	0.0026
323.17	10220.00	0.0026
323.16	15200.00	0.0027
323.16	15200.00	0.0027
323.15	15180.00	0.0027
323.17	18270.00	0.0028
323.17	18240.00	0.0028
323.17	18260.00	0.0028
333.16	1090.00	0.0020
333.16	1120.00	0.0020
333.16	1100.00	0.0020
333.14	2620.00	0.0020
333.14	2610.00	0.0020
333.15	2620.00	0.0020
333.15	5130.00	0.0021
333.15	5110.00	0.0021
333.15	5110.00	0.0021
333.16	10190.00	0.0022
333.16	10180.00	0.0022
333.16	10160.00	0.0022
333.16	15220.00	0.0023
333.15	15220.00	0.0023
333.15	15200.00	0.0023
333.15	18300.00	0.0023
333.15	18290.00	0.0023
333.15	18260.00	0.0023
Reference

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
293.15	100.00	979.3
293.15	520.00	979.7
293.15	1040.00	980.0
293.15	2530.00	981.0
293.15	5020.00	982.5
293.15	7510.00	984.1
293.15	7530.00	984.2
293.15	10010.00	985.7
293.15	15050.00	988.9
293.15	20010.00	991.8
293.15	30030.00	997.7
293.15	39800.00	1003.1
293.15	50070.00	1008.4
293.15	65000.00	1015.7
303.15	100.00	970.3
303.15	100.00	970.4
303.15	500.00	970.7
303.15	1010.00	971.1
303.15	2510.00	972.1
303.15	2510.00	972.1
303.15	5000.00	973.8
303.15	7510.00	975.5
303.15	10020.00	977.1
303.15	15010.00	980.4
303.15	20000.00	983.5
303.15	30010.00	989.6
303.15	39800.00	995.2
303.15	50010.00	1000.7
303.15	64990.00	1008.3
313.15	100.00	961.5
313.15	500.00	961.8
313.15	1010.00	962.2
313.15	2510.00	963.3
313.15	5040.00	965.1
313.15	7510.00	966.8
313.15	10010.00	968.5
313.15	15000.00	971.9
313.15	19980.00	975.2
313.15	30000.00	981.6
313.15	39810.00	987.4
313.15	39800.00	987.4
313.15	50060.00	993.2
313.15	65000.00	1001.0
323.15	100.00	952.4
323.15	500.00	952.8
323.15	1010.00	953.2
323.15	2530.00	954.3
323.15	5020.00	956.2
323.15	7510.00	958.0
323.15	7550.00	958.1
323.15	10000.00	959.9
323.15	15030.00	963.4
323.15	20010.00	966.9
323.15	30010.00	973.5
323.15	39820.00	979.5
323.15	50020.00	985.5
323.15	64990.00	993.7
333.15	100.00	943.5
333.15	500.00	943.9
333.15	1020.00	944.3
333.15	2520.00	945.5
333.15	5010.00	947.5
333.15	7510.00	949.4
333.15	7510.00	949.4
333.15	10000.00	951.3
333.15	15000.00	955.1
333.15	20000.00	958.7
333.15	30020.00	965.6
333.15	39790.00	971.9
333.15	50050.00	978.1
333.15	65000.00	986.5
343.15	100.00	934.6
343.15	520.00	935.0
343.15	1040.00	935.5
343.15	2540.00	936.7
343.15	5020.00	938.8
343.15	7520.00	940.8
343.15	7510.00	940.8
343.15	10020.00	942.8
343.15	15000.00	946.7
343.15	20030.00	950.6
343.15	29580.00	957.4
343.15	39860.00	964.3
343.15	50020.00	970.7
343.15	65000.00	979.4
353.15	100.00	925.7
353.15	510.00	926.1
353.15	1020.00	926.5
353.15	2530.00	927.9
353.15	5020.00	930.1
353.15	7510.00	932.2
353.15	7530.00	932.2
353.15	10000.00	934.3
353.15	14550.00	938.0
353.15	20020.00	942.3
353.15	30010.00	949.8
353.15	39800.00	956.7
353.15	49990.00	963.4
353.15	64990.00	972.4
363.15	100.00	916.7
363.15	500.00	917.2
363.15	980.00	917.6
363.15	2520.00	919.1
363.15	5000.00	921.3
363.15	7480.00	923.6
363.15	7480.00	923.6
363.15	10020.00	925.8
363.15	15020.00	930.1
363.15	20020.00	934.2
363.15	30020.00	942.0
363.15	39810.00	949.1
363.15	50050.00	956.1
363.15	64970.00	965.4
303.15	100.00	970.4
303.15	510.00	970.7
303.15	5030.00	973.8
303.15	10010.00	977.1
303.15	30000.00	989.6
303.15	65010.00	1008.3
Reference

Similar Compounds

Find more compounds similar to Hexanedioic acid, dipropyl ester.

Sources

• Cheméo Relay (1.0)
• 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

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