Chemical Properties of Ethyl(1,1-dimethylpropyl)malononitrile (CAS 85688-95-5)

InChI

InChI=1S/C10H16N2/c1-5-9(3,4)10(6-2,7-11)8-12/h5-6H2,1-4H3

InChI Key

PGJYGIZMFMZNAZ-UHFFFAOYSA-N

Formula

C10H16N2

SMILES

CCC(C)(C)C(C#N)(C#N)CC

Molecular Weight¹

164.25

CAS

85688-95-5

• ω : Acentric Factor.
• 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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	0.4625		Relay (1.0) Calculated Property
ΔcH°solid	-6206.80 ± 1.70	kJ/mol	NIST
ΔfG°	305.36	kJ/mol	Joback Calculated Property
ΔfH°gas	61.30 ± 1.90	kJ/mol	NIST
ΔfH°solid	-15.00 ± 1.70	kJ/mol	NIST
ΔfusH°	9.84	kJ/mol	Joback Calculated Property
ΔsubH°	[76.20; 76.30]	kJ/mol
ΔsubH°	76.23 ± 0.75	kJ/mol	NIST
ΔsubH°	76.30	kJ/mol	NIST
ΔsubH°	76.20 ± 0.80	kJ/mol	NIST
ΔvapH°	61.55	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.866		Crippen Calculated Property
McVol	154.520	ml/mol	McGowan Calculated Property
Pc	2085.03	kPa	Joback Calculated Property
Tboil	495.80	K	Relay (1.0) Calculated Property
Tc	701.09	K	Relay (1.0) Calculated Property
Tfus	326.71	K	Relay (1.0) Calculated Property
Vc	0.524	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Ionization energy, 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[217.45; 491.13]	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			-2.11480e+01
Coefficient B			1.07508e+00
Coefficient C			-8.01800e-04
Coefficient D			2.39000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	217.45	J/mol×K	273.00	Calculated Property
Cp,gas	269.42	J/mol×K	353.78	Calculated Property
Cp,gas	314.24	J/mol×K	434.56	Calculated Property
Cp,gas	352.65	J/mol×K	515.33	Calculated Property
Cp,gas	385.43	J/mol×K	596.11	Calculated Property
Cp,gas	413.32	J/mol×K	676.89	Calculated Property
Cp,gas	437.08	J/mol×K	757.67	Calculated Property
Cp,gas	457.46	J/mol×K	838.44	Calculated Property
Cp,gas	475.23	J/mol×K	919.22	Calculated Property
Cp,gas	491.13	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl(1,1-dimethylpropyl)malononitrile.

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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