Chemical Properties of N,N-Dimethylformamide di-n-butylacetal (CAS 18503-90-7)

InChI

InChI=1S/C11H25NO2/c1-5-7-9-13-11(12(3)4)14-10-8-6-2/h11H,5-10H2,1-4H3

InChI Key

GSFFXKGTGPMVLM-UHFFFAOYSA-N

Formula

C11H25NO2

SMILES

CCCCOC(OCCCC)N(C)C

Molecular Weight¹

203.32

CAS

18503-90-7

Other Names

• N,N-Dimethylformamide dibutyl acetal
• Methanamine, 1,1-dibutoxy-N,N-dimethyl-
• Dibutoxy-N,N-dimethylmethanamine
• 1,1-dibutoxytrimethylamine

• ω : Acentric Factor.
• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• I_np : Non-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
ω	0.5828		Relay (1.0) Calculated Property
ΔfG°	-59.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-500.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.12	kJ/mol	Joback Calculated Property
ΔvapH°	61.22	kJ/mol	Relay (1.0) Calculated Property
IE	8.39	eV	Relay (1.0) Calculated Property
log10WS	-2.14		Relay (1.0) Calculated Property
logPoct/wat	2.465		Crippen Calculated Property
McVol	187.570	ml/mol	McGowan Calculated Property
Pc	1887.08	kPa	Joback Calculated Property
Inp	[1216.00; 1216.00]
Inp	1216.00		NIST
Inp	1216.00		NIST
Tboil	479.56	K	Relay (1.0) Calculated Property
Tc	644.82	K	Relay (1.0) Calculated Property
Tfus	205.68	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[284.84; 662.40]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.15160e+01
Coefficient B			1.05228e+00
Coefficient C			-4.68400e-04
Coefficient D			4.70000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	284.84	J/mol×K	273.00	Calculated Property
Cp,gas	347.25	J/mol×K	353.78	Calculated Property
Cp,gas	404.20	J/mol×K	434.56	Calculated Property
Cp,gas	455.83	J/mol×K	515.33	Calculated Property
Cp,gas	502.30	J/mol×K	596.11	Calculated Property
Cp,gas	543.76	J/mol×K	676.89	Calculated Property
Cp,gas	580.35	J/mol×K	757.67	Calculated Property
Cp,gas	612.22	J/mol×K	838.44	Calculated Property
Cp,gas	639.52	J/mol×K	919.22	Calculated Property
Cp,gas	662.40	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N,N-Dimethylformamide di-n-butylacetal.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• 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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