Chemical Properties of Benzaldehyde, 4-(dimethylamino)- (CAS 100-10-7)

InChI

InChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3

InChI Key

BGNGWHSBYQYVRX-UHFFFAOYSA-N

Formula

C9H11NO

SMILES

CN(C)c1ccc(C=O)cc1

Molecular Weight¹

149.19

CAS

100-10-7

Other Names

• Benzaldehyde, p-(dimethylamino)-
• p-(Dimethylamino)benzaldehyde
• p-(N,N-Dimethylamino)benzaldehyde
• p-Formyl-N,N-dimethylaniline
• p-Formyldimethylaniline
• Ehrlich's reagent
• 4-(Dimethylamino)benzaldehyde
• 4-Dimethylaminobenzenecarbonal
• para-Dimethylaminobenzaldehyde
• 4-N,N-Dimethylaminobenzaldehyde
• N,N-Dimethyl-p-aminobenzaldehyde
• Reagens ehrlichovo
• 4-Formyl-N,N-dimethylaniline
• N,N-Dimethyl-4-formylaniline
• N,N-Dimethyl-4-aminobenzaldehyde
• p-DAB
• NSC 5517

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid 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°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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
ω	0.4973		Relay (1.0) Calculated Property
PAff	924.80	kJ/mol	NIST
BasG	898.30	kJ/mol	NIST
ΔcH°solid	[-4977.00; -4976.03]	kJ/mol
ΔcH°solid	-4977.00	kJ/mol	NIST
ΔcH°solid	-4976.03 ± 0.84	kJ/mol	NIST
ΔfG°	138.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-40.00	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-137.00	kJ/mol	NIST
ΔfusH°	18.03	kJ/mol	Joback Calculated Property
ΔvapH°	69.17	kJ/mol	Relay (1.0) Calculated Property
IE	[7.30; 7.81]	eV
IE	7.30 ± 0.10	eV	NIST
IE	7.30 ± 0.10	eV	NIST
IE	7.36 ± 0.02	eV	NIST
IE	7.81	eV	NIST
log10WS	-1.75		Relay (1.0) Calculated Property
logPoct/wat	1.565		Crippen Calculated Property
McVol	125.460	ml/mol	McGowan Calculated Property
Pc	3484.76	kPa	Joback Calculated Property
Inp	[1481.00; 1528.00]
Inp	1528.00		NIST
Inp	1481.00		NIST
Inp	1528.00		NIST
Inp	1528.00		NIST
Inp	1481.00		NIST
Inp	1528.00		NIST
I	[2459.00; 2459.00]
I	2459.00		NIST
I	2459.00		NIST
Tboil	541.73	K	Relay (1.0) Calculated Property
Tc	764.42	K	Relay (1.0) Calculated Property
Tfus	347.00	K	NIST
Vc	0.456	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[267.08; 334.13]	J/mol×K	[498.08; 709.02]
Cp,gas	267.08	J/mol×K	498.08	Joback Calculated Property
Cp,gas	280.15	J/mol×K	533.24	Joback Calculated Property
Cp,gas	292.41	J/mol×K	568.39	Joback Calculated Property
Cp,gas	303.91	J/mol×K	603.55	Joback Calculated Property
Cp,gas	314.67	J/mol×K	638.70	Joback Calculated Property
Cp,gas	324.73	J/mol×K	673.86	Joback Calculated Property
Cp,gas	334.13	J/mol×K	709.02	Joback Calculated Property
ΔfusH	19.07	kJ/mol	346.20	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[418.00; 449.70]	K	[1.30; 2.30]
Tboilr	418.00	K	1.30	NIST
Tboilr	449.70	K	2.30	NIST

Similar Compounds

Find more compounds similar to Benzaldehyde, 4-(dimethylamino)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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