Chemical Properties of Diisopropylamine (CAS 108-18-9)

InChI

InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3

InChI Key

UAOMVDZJSHZZME-UHFFFAOYSA-N

Formula

C6H15N

SMILES

CC(C)NC(C)C

Molecular Weight¹

101.19

CAS

108-18-9

Other Names

• (iso-C3H7)2NH
• 2-Propanamine, N-(1-methylethyl)-
• 2-propanamine, N-isopropyl-
• Bis(isopropyl)amine
• N,N-Diisopropylamine
• N-(1-Methylethyl)-2-propamine
• N-(1-Methylethyl)-2-propanamine
• N-Isopropyl-1-amino-2-methylethane
• N-isopropyl-1-methylethanamine
• N-isopropyl-2-propanamine
• N-isopropyl-isopropylamine
• NSC 6758
• UN 1158
• bis(1-methylethyl)amine

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	971.90	kJ/mol	NIST
BasG	938.60	kJ/mol	NIST
ΔcH°liquid	[-4333.80; -4326.30]	kJ/mol
ΔcH°liquid	-4333.80 ± 2.50	kJ/mol	NIST
ΔcH°liquid	-4326.30 ± 0.42	kJ/mol	NIST
ΔfH°gas	[-143.70; -136.30]	kJ/mol
ΔfH°gas	-136.30 ± 2.60	kJ/mol	NIST
ΔfH°gas	-143.70	kJ/mol	NIST
ΔfH°liquid	[-178.40; -171.00]	kJ/mol
ΔfH°liquid	-171.00 ± 2.60	kJ/mol	NIST
ΔfH°liquid	-178.40 ± 0.04	kJ/mol	NIST
ΔfusH°	22.74	kJ/mol	Thermodynamics of aqueous solutions of methyldiethanolamine and diisopropanolamine.
ΔvapH°	[33.80; 34.72]	kJ/mol
ΔvapH°	34.72	kJ/mol	NIST
ΔvapH°	34.70	kJ/mol	NIST
ΔvapH°	34.60 ± 0.10	kJ/mol	NIST
ΔvapH°	34.60	kJ/mol	NIST
ΔvapH°	Outlier 33.80 ± 0.20	kJ/mol	NIST
ΔvapH°	34.50 ± 0.10	kJ/mol	NIST
ΔvapH°	34.51 ± 0.08	kJ/mol	NIST
IE	[7.60; 7.73]	eV
IE	7.60 ± 0.10	eV	NIST
IE	7.73 ± 0.03	eV	NIST
logPoct/wat	1.393		Crippen Calculated Property
McVol	105.380	ml/mol	McGowan Calculated Property
Pc	3020.00 ± 30.17	kPa	NIST
Inp	[619.00; 655.00]
Inp	644.00		NIST
Inp	641.00		NIST
Inp	629.00		NIST
Inp	622.00		NIST
Inp	619.00		NIST
Inp	655.00		NIST
Inp	641.00		NIST
Inp	641.00		NIST
Inp	644.00		NIST
Inp	641.00		NIST
I	[740.00; 762.00]
I	762.00		NIST
I	756.00		NIST
I	760.00		NIST
I	752.00		NIST
I	752.00		NIST
I	740.00		NIST
I	762.00		NIST
I	740.00		NIST
Tboil	[355.15; 357.20]	K
Tboil	357.00 ± 3.00	K	NIST
Tboil	357.20	K	NIST
Tboil	357.10	K	NIST
Tboil	357.00 ± 0.30	K	NIST
Tboil	357.05	K	NIST
Tboil	356.45 ± 0.30	K	NIST
Tboil	356.90 ± 2.00	K	NIST
Tboil	357.05 ± 2.00	K	NIST
Tboil	Outlier 355.15 ± 3.00	K	NIST
Tboil	357.15 ± 3.00	K	NIST
Tboil	357.15 ± 3.00	K	NIST
Tboil	Outlier 355.40 ± 3.00	K	NIST
Tboil	357.15 ± 2.00	K	NIST
Tboil	357.15 ± 4.00	K	NIST
Tboil	357.15 ± 4.00	K	NIST
Tc	[522.20; 523.10]	K
Tc	522.20	K	NIST
Tc	523.10 ± 0.52	K	NIST
Tfus	[176.85; 212.15]	K
Tfus	176.85	K	NIST
Tfus	212.15 ± 1.00	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[199.14; 264.98]	J/mol×K	[386.17; 564.20]
Cp,gas	199.14	J/mol×K	386.17	Joback Calculated Property
Cp,gas	211.27	J/mol×K	415.84	Joback Calculated Property
Cp,gas	222.92	J/mol×K	445.51	Joback Calculated Property
Cp,gas	234.11	J/mol×K	475.19	Joback Calculated Property
Cp,gas	244.84	J/mol×K	504.86	Joback Calculated Property
Cp,gas	255.12	J/mol×K	534.53	Joback Calculated Property
Cp,gas	264.98	J/mol×K	564.20	Joback Calculated Property
ΔvapH	[30.20; 35.60]	kJ/mol	[291.00; 358.00]
ΔvapH	34.00	kJ/mol	291.00	NIST
ΔvapH	33.70 ± 0.10	kJ/mol	313.00	NIST
ΔvapH	35.60	kJ/mol	320.00	NIST
ΔvapH	32.60 ± 0.10	kJ/mol	328.00	NIST
ΔvapH	34.40	kJ/mol	328.00	NIST
ΔvapH	35.40	kJ/mol	336.00	NIST
ΔvapH	31.50 ± 0.10	kJ/mol	343.00	NIST
ΔvapH	30.40	kJ/mol	357.10	NIST
ΔvapH	30.20 ± 0.10	kJ/mol	358.00	NIST
n0	[1.39220; 1.39240]		[293.15; 293.15]
n0	1.39220		293.15	Measurement and correlation of the mutual solubility of diisopropylamine + water and triethylamine + water systems at high pressure
n0	1.39240		293.15	Vapor-Liquid Equilibrium and Excess Gibbs Energies of Hexane + N,N-Dimethyl Formamide, 2-Methylpropan-2-ol + 2-Aminophenol, N,N-Dimethyl Formamide, and 2-Propanol + Diisopropyl Amine at 94.4 kPa
ρl	[696.81; 720.89]	kg/m3	[293.15; 313.15]
ρl	717.30	kg/m3	293.15	Acoustic, volumetric and spectral studies of binary liquid mixtures of aliphatic dialkylamine and 2-alkanols at different temperatures
ρl	716.37	kg/m3	293.15	Density, Speed of Sound, Viscosity, Excess Properties, and Prigogine Flory Patterson (PFP) Theory of Binary Mixtures of Amine and Alcohols
ρl	720.89	kg/m3	293.15	Excess molar volumes of Diisopropylamine + (C1-C5) Alkan-1-ols: application of the ERAS model and cubic EOS
ρl	712.44	kg/m3	298.15	Acoustic, volumetric and spectral studies of binary liquid mixtures of aliphatic dialkylamine and 2-alkanols at different temperatures
ρl	711.51	kg/m3	298.15	Density, Speed of Sound, Viscosity, Excess Properties, and Prigogine Flory Patterson (PFP) Theory of Binary Mixtures of Amine and Alcohols
ρl	715.35	kg/m3	298.15	Excess molar volumes of Diisopropylamine + (C1-C5) Alkan-1-ols: application of the ERAS model and cubic EOS
ρl	710.23	kg/m3	303.15	Excess molar volumes of Diisopropylamine + (C1-C5) Alkan-1-ols: application of the ERAS model and cubic EOS
ρl	707.55	kg/m3	303.15	Acoustic, volumetric and spectral studies of binary liquid mixtures of aliphatic dialkylamine and 2-alkanols at different temperatures
ρl	706.63	kg/m3	303.15	Density, Speed of Sound, Viscosity, Excess Properties, and Prigogine Flory Patterson (PFP) Theory of Binary Mixtures of Amine and Alcohols
ρl	702.66	kg/m3	308.15	Acoustic, volumetric and spectral studies of binary liquid mixtures of aliphatic dialkylamine and 2-alkanols at different temperatures
ρl	701.74	kg/m3	308.15	Density, Speed of Sound, Viscosity, Excess Properties, and Prigogine Flory Patterson (PFP) Theory of Binary Mixtures of Amine and Alcohols
ρl	699.71	kg/m3	313.15	Excess molar volumes of Diisopropylamine + (C1-C5) Alkan-1-ols: application of the ERAS model and cubic EOS
ρl	696.81	kg/m3	313.15	Density, Speed of Sound, Viscosity, Excess Properties, and Prigogine Flory Patterson (PFP) Theory of Binary Mixtures of Amine and Alcohols

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[4.92e-06; 3385.34]	kPa	[176.85; 523.10]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			2.95430e+02
Coefficient B			-1.50323e+04
Coefficient C			-4.32974e+01
Coefficient D			4.55601e-05
Temperature range, min.			176.85
Temperature range, max.			523.10
Pvap	4.92e-06	kPa	176.85	Calculated Property
Pvap	7.67e-03	kPa	215.32	Calculated Property
Pvap	0.56	kPa	253.79	Calculated Property
Pvap	7.84	kPa	292.27	Calculated Property
Pvap	43.81	kPa	330.74	Calculated Property
Pvap	145.24	kPa	369.21	Calculated Property
Pvap	361.59	kPa	407.68	Calculated Property
Pvap	782.29	kPa	446.16	Calculated Property
Pvap	1615.08	kPa	484.63	Calculated Property
Pvap	3385.34	kPa	523.10	Calculated Property

Similar Compounds

Find more compounds similar to Diisopropylamine.

Mixtures

• Water + Diisopropylamine
• 2-Pentanol + Diisopropylamine
• Methyl Alcohol + Diisopropylamine
• Ethanol + Diisopropylamine
• 1-Propanol + Diisopropylamine
• 1-Butanol + Diisopropylamine
• 1-Pentanol + Diisopropylamine
• 1-Propanol, 2-methyl- + Diisopropylamine
• 2-Propanol + Diisopropylamine

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Thermodynamics of aqueous solutions of methyldiethanolamine and diisopropanolamine.
• Measurement and correlation of the mutual solubility of diisopropylamine + water and triethylamine + water systems at high pressure
• Acoustic, volumetric and spectral studies of binary liquid mixtures of aliphatic dialkylamine and 2-alkanols at different temperatures
• Excess molar volumes of Diisopropylamine + (C1-C5) Alkan-1-ols: application of the ERAS model and cubic EOS
• Density, Speed of Sound, Viscosity, Excess Properties, and Prigogine Flory Patterson (PFP) Theory of Binary Mixtures of Amine and Alcohols
• Vapor-Liquid Equilibrium and Excess Gibbs Energies of Hexane + N,N-Dimethyl Formamide, 2-Methylpropan-2-ol + 2-Aminophenol, N,N-Dimethyl Formamide, and 2-Propanol + Diisopropyl Amine at 94.4 kPa
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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