Chemical Properties of Methylene (CAS 2465-56-7)

InChI

InChI=1S/CH2/h1H2

InChI Key

HZVOZRGWRWCICA-UHFFFAOYSA-N

Formula

CH2

SMILES

[CH2]

Molecular Weight¹

14.03

CAS

2465-56-7

Other Names

• Methylene radical

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_{(+) ion} : Enthalpy of formation of positive ion at standard conditions (kJ/mol).
• Δ_fH_{(+) ion,0K} : Enthalpy of formation of positive ion at 0K (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
EA	[0.21; 0.90]	eV
EA	0.65 ± 0.01	eV	NIST
EA	0.60 ± 0.03	eV	NIST
EA	0.21 ± 0.01	eV	NIST
EA	0.21 ± 0.03	eV	NIST
EA	0.90 ± 0.40	eV	NIST
ΔfH°gas	391.46 ± 0.14	kJ/mol	Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value
ΔfH°(+) ion	1370.00 ± 10.00	kJ/mol	NIST
ΔfH(+) ion,0K	1380.00 ± 10.00	kJ/mol	NIST
ΔfusH°	1.71	kJ/mol	Joback Calculated Property
IE	[10.35; 10.50]	eV
IE	10.40 ± 0.00	eV	NIST
IE	10.35 ± 0.15	eV	NIST
IE	10.50 ± 0.20	eV	NIST
IE	10.40 ± 0.00	eV	NIST
logPoct/wat	0.327		Crippen Calculated Property
McVol	20.650	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[34.60; 50.36]	J/mol×K	[298.00; 1400.00]	NIST
Equation			Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.19682e+01
Coefficient B			6.78360e+00
Coefficient C			1.25189e+01
Coefficient D			-5.69627e+00
Coefficient E			-3.11150e-02
Reference			Chase, 1998
Comment			F=376.3558, G=229.9150, H=386.3924; Data last reviewed in December, 1972
Temperature range, min.			298.00
Temperature range, max.			1400.00
Cp,gas	34.60	J/mol×K	298.00	Calculated Property
Cp,gas	36.43	J/mol×K	420.44	Calculated Property
Cp,gas	38.32	J/mol×K	542.89	Calculated Property
Cp,gas	40.28	J/mol×K	665.33	Calculated Property
Cp,gas	42.25	J/mol×K	787.78	Calculated Property
Cp,gas	44.18	J/mol×K	910.22	Calculated Property
Cp,gas	46.02	J/mol×K	1032.67	Calculated Property
Cp,gas	47.71	J/mol×K	1155.11	Calculated Property
Cp,gas	49.17	J/mol×K	1277.56	Calculated Property
Cp,gas	50.36	J/mol×K	1400.00	Calculated Property
Cp,gas	[50.35; 59.32]	J/mol×K	[1400.00; 6000.00]	NIST
Equation			Y = A + B·t + C·t² + D·t³ + E/t², t = T/1000 Y is Cp,gas in J/mol×K, T in K
Coefficient A			5.15590e+01
Coefficient B			3.87697e+00
Coefficient C			-6.49608e-01
Coefficient D			3.79010e-02
Coefficient E			-1.07259e+01
Reference			Chase, 1998
Comment			F=350.6715, G=232.3212, H=386.3924; Data last reviewed in December, 1972
Temperature range, min.			1400.00
Temperature range, max.			6000.00
Cp,gas	50.35	J/mol×K	1400.00	Calculated Property
Cp,gas	53.92	J/mol×K	1911.11	Calculated Property
Cp,gas	55.85	J/mol×K	2422.22	Calculated Property
Cp,gas	57.05	J/mol×K	2933.33	Calculated Property
Cp,gas	57.85	J/mol×K	3444.44	Calculated Property
Cp,gas	58.39	J/mol×K	3955.56	Calculated Property
Cp,gas	58.76	J/mol×K	4466.67	Calculated Property
Cp,gas	59.00	J/mol×K	4977.78	Calculated Property
Cp,gas	59.18	J/mol×K	5488.89	Calculated Property
Cp,gas	59.32	J/mol×K	6000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000036; 0.0000221]	Pa×s	[133.77; 257.12]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-8.76002e+00
Coefficient B			-5.03660e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			133.77
Temperature range, max.			257.12
η	0.0000036	Pa×s	133.77	Calculated Property
η	0.0000052	Pa×s	147.48	Calculated Property
η	0.0000069	Pa×s	161.18	Calculated Property
η	0.0000088	Pa×s	174.89	Calculated Property
η	0.0000109	Pa×s	188.59	Calculated Property
η	0.0000130	Pa×s	202.30	Calculated Property
η	0.0000152	Pa×s	216.00	Calculated Property
η	0.0000175	Pa×s	229.71	Calculated Property
η	0.0000198	Pa×s	243.41	Calculated Property
η	0.0000221	Pa×s	257.12	Calculated Property

Similar Compounds

Find more compounds similar to Methylene.

Sources

• Active Thermochemical Tables 1.112, gas-phase enthalpies of formation ChEDL chemicals 1.5.2, from Active Thermochemical Tables (ATcT), version 1.112, Argonne National Laboratory; Ruscic, B. et al. Active Thermochemical Tables: Thermochemistry for the 21st Century. J. Phys.: Conf. Ser. 2005, 16, 561.
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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