Chemical Properties of p-N,N-Diethylaminostyrene

InChI

InChI=1S/C12H17N/c1-4-11-7-9-12(10-8-11)13(5-2)6-3/h4,7-10H,1,5-6H2,2-3H3

InChI Key

CBZMQWPBAUBAPO-UHFFFAOYSA-N

Formula

C12H17N

SMILES

C=Cc1ccc(N(CC)CC)cc1

Molecular Weight¹

175.27

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• 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
ω	0.4915		Relay (1.0) Calculated Property
ΔfH°gas	75.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.23	kJ/mol	Joback Calculated Property
ΔvapH°	65.53	kJ/mol	Relay (1.0) Calculated Property
IE	6.92	eV	Relay (1.0) Calculated Property
log10WS	-3.81		Relay (1.0) Calculated Property
logPoct/wat	3.176		Crippen Calculated Property
McVol	161.860	ml/mol	McGowan Calculated Property
Pc	2465.36	kPa	Joback Calculated Property
Inp	[1523.80; 1524.30]
Inp	1523.80		NIST
Inp	1524.30		NIST
Inp	1523.80		NIST
I	[2005.20; 2005.80]
I	2005.20		NIST
I	2005.20		NIST
I	2005.80		NIST
Tboil	527.64	K	Relay (1.0) Calculated Property
Tc	740.75	K	Relay (1.0) Calculated Property
Tfus	273.71	K	Relay (1.0) Calculated Property
Vc	0.576	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[211.04; 526.37]	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			-4.13080e+01
Coefficient B			1.10934e+00
Coefficient C			-7.28660e-04
Coefficient D			1.87000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	211.04	J/mol×K	273.00	Calculated Property
Cp,gas	268.23	J/mol×K	353.78	Calculated Property
Cp,gas	318.51	J/mol×K	434.56	Calculated Property
Cp,gas	362.45	J/mol×K	515.33	Calculated Property
Cp,gas	400.67	J/mol×K	596.11	Calculated Property
Cp,gas	433.73	J/mol×K	676.89	Calculated Property
Cp,gas	462.24	J/mol×K	757.67	Calculated Property
Cp,gas	486.79	J/mol×K	838.44	Calculated Property
Cp,gas	507.97	J/mol×K	919.22	Calculated Property
Cp,gas	526.37	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to p-N,N-Diethylaminostyrene.

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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