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)-
• Bis(isopropyl)amine
• N,N-Diisopropylamine
• N-(1-Methylethyl)-2-propamine
• N-(1-Methylethyl)-2-propanamine
• N-Isopropyl-1-amino-2-methylethane
• N-isopropyl-isopropylamine
• NSC 6758
• UN 1158

• 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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• 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
ΔfG°	84.15	kJ/mol	Joback Calculated Property
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°	9.35	kJ/mol	Joback Calculated Property
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
log10WS	-1.75		Crippen Calculated Property
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
Vc	0.395	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[199.06; 264.88]	J/mol×K	[385.97; 563.91]
Cp,gas	199.06	J/mol×K	385.97	Joback Calculated Property
Cp,gas	211.19	J/mol×K	415.63	Joback Calculated Property
Cp,gas	222.83	J/mol×K	445.28	Joback Calculated Property
Cp,gas	234.02	J/mol×K	474.94	Joback Calculated Property
Cp,gas	244.75	J/mol×K	504.60	Joback Calculated Property
Cp,gas	255.03	J/mol×K	534.25	Joback Calculated Property
Cp,gas	264.88	J/mol×K	563.91	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	34.40	kJ/mol	328.00	NIST
ΔvapH	32.60 ± 0.10	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

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[4.92e-06; 3385.34]	kPa	[176.85; 523.10]	KDB Vap...
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.

Sources

• KDB Pure (Korean Thermophysical Properties Databank)
• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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