Chemical Properties of Methane, tetranitro- (CAS 509-14-8)

InChI

InChI=1S/CN4O8/c6-2(7)1(3(8)9,4(10)11)5(12)13

InChI Key

NYTOUQBROMCLBJ-UHFFFAOYSA-N

Formula

CN4O8

SMILES

O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Molecular Weight¹

196.03

CAS

509-14-8

Other Names

• NCI-C55947
• Rcra waste number P112
• TNM
• Tetranitromethane
• UN 1510

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	[-434.70; -432.00]	kJ/mol
ΔcH°liquid	-432.00 ± 2.00	kJ/mol	NIST
ΔcH°liquid	-434.70 ± 4.20	kJ/mol	NIST
ΔfH°gas	82.00 ± 2.00	kJ/mol	NIST
ΔfH°liquid	[37.00; 41.20]	kJ/mol
ΔfH°liquid	38.00 ± 2.00	kJ/mol	NIST
ΔfH°liquid	37.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	41.20 ± 4.20	kJ/mol	NIST
ΔfusH°	36.38	kJ/mol	Joback Calculated Property
ΔvapH°	[43.90; 49.96]	kJ/mol
ΔvapH°	49.96	kJ/mol	NIST
ΔvapH°	43.90 ± 0.40	kJ/mol	NIST
IE	12.55	eV	NIST
log10WS	-2.45		Relay (1.0) Calculated Property
logPoct/wat	-1.296		Crippen Calculated Property
McVol	94.630	ml/mol	McGowan Calculated Property
Tboil	399.20	K	NIST
Tfus	287.05 ± 0.20	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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

Property	Value	Unit	Temperature (K)	Source
ΔsubH	47.40	kJ/mol	270.50	NIST
ΔvapH	[40.74; 46.60]	kJ/mol	[293.00; 399.20]
ΔvapH	46.60	kJ/mol	293.00	NIST
ΔvapH	43.10 ± 2.10	kJ/mol	313.00	NIST
ΔvapH	43.10	kJ/mol	329.50	NIST
ΔvapH	42.90	kJ/mol	343.00	NIST
ΔvapH	40.74	kJ/mol	399.20	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[133.92; 257.31]	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			-5.30000e-01
Coefficient B			6.22040e-01
Coefficient C			-5.16000e-04
Coefficient D			1.51800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	133.92	J/mol×K	273.00	Calculated Property
Cp,gas	161.67	J/mol×K	353.78	Calculated Property
Cp,gas	184.80	J/mol×K	434.56	Calculated Property
Cp,gas	203.77	J/mol×K	515.33	Calculated Property
Cp,gas	219.07	J/mol×K	596.11	Calculated Property
Cp,gas	231.18	J/mol×K	676.89	Calculated Property
Cp,gas	240.58	J/mol×K	757.67	Calculated Property
Cp,gas	247.75	J/mol×K	838.44	Calculated Property
Cp,gas	253.16	J/mol×K	919.22	Calculated Property
Cp,gas	257.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.00; 202.65]	kPa	[291.15; 422.69]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.71581e+01
Coefficient B			-5.03433e+03
Coefficient C			2.27000e+00
Temperature range, min.			291.15
Temperature range, max.			422.69
Pvap	1.00	kPa	291.15	Calculated Property
Pvap	2.26	kPa	305.77	Calculated Property
Pvap	4.74	kPa	320.38	Calculated Property
Pvap	9.31	kPa	335.00	Calculated Property
Pvap	17.31	kPa	349.61	Calculated Property
Pvap	30.62	kPa	364.23	Calculated Property
Pvap	51.86	kPa	378.84	Calculated Property
Pvap	84.47	kPa	393.46	Calculated Property
Pvap	132.89	kPa	408.07	Calculated Property
Pvap	202.65	kPa	422.69	Calculated Property
Pvap	[3.46; 45.19]	kPa	[313.00; 373.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.50801e+01
Coefficient B			-3.64285e+03
Coefficient C			-4.97400e+01
Reference			Edwards, 1952, 3
Temperature range, min.			313.00
Temperature range, max.			373.00
Pvap	3.46	kPa	313.00	Calculated Property
Pvap	4.88	kPa	319.67	Calculated Property
Pvap	6.75	kPa	326.33	Calculated Property
Pvap	9.20	kPa	333.00	Calculated Property
Pvap	12.37	kPa	339.67	Calculated Property
Pvap	16.41	kPa	346.33	Calculated Property
Pvap	21.49	kPa	353.00	Calculated Property
Pvap	27.83	kPa	359.67	Calculated Property
Pvap	35.65	kPa	366.33	Calculated Property
Pvap	45.19	kPa	373.00	Calculated Property
Pvap	[0.25; 3.37]	kPa	[273.00; 313.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			8.65054e+00
Coefficient B			-1.14846e+03
Coefficient C			-1.58538e+02
Reference			Nicholson, 1949, 2
Temperature range, min.			273.00
Temperature range, max.			313.00
Pvap	0.25	kPa	273.00	Calculated Property
Pvap	0.36	kPa	277.44	Calculated Property
Pvap	0.52	kPa	281.89	Calculated Property
Pvap	0.71	kPa	286.33	Calculated Property
Pvap	0.97	kPa	290.78	Calculated Property
Pvap	1.28	kPa	295.22	Calculated Property
Pvap	1.67	kPa	299.67	Calculated Property
Pvap	2.14	kPa	304.11	Calculated Property
Pvap	2.70	kPa	308.56	Calculated Property
Pvap	3.37	kPa	313.00	Calculated Property
Pvap	[3.46; 45.19]	kPa	[313.00; 373.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.50801e+01
Coefficient B			-3.64285e+03
Coefficient C			-4.97400e+01
Reference			Edwards, 1952
Temperature range, min.			313.00
Temperature range, max.			373.00
Pvap	3.46	kPa	313.00	Calculated Property
Pvap	4.88	kPa	319.67	Calculated Property
Pvap	6.75	kPa	326.33	Calculated Property
Pvap	9.20	kPa	333.00	Calculated Property
Pvap	12.37	kPa	339.67	Calculated Property
Pvap	16.41	kPa	346.33	Calculated Property
Pvap	21.49	kPa	353.00	Calculated Property
Pvap	27.83	kPa	359.67	Calculated Property
Pvap	35.65	kPa	366.33	Calculated Property
Pvap	45.19	kPa	373.00	Calculated Property
Pvap	[0.25; 3.37]	kPa	[273.00; 313.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			8.65054e+00
Coefficient B			-1.14846e+03
Coefficient C			-1.58538e+02
Reference			Nicholson, 1949
Temperature range, min.			273.00
Temperature range, max.			313.00
Pvap	0.25	kPa	273.00	Calculated Property
Pvap	0.36	kPa	277.44	Calculated Property
Pvap	0.52	kPa	281.89	Calculated Property
Pvap	0.71	kPa	286.33	Calculated Property
Pvap	0.97	kPa	290.78	Calculated Property
Pvap	1.28	kPa	295.22	Calculated Property
Pvap	1.67	kPa	299.67	Calculated Property
Pvap	2.14	kPa	304.11	Calculated Property
Pvap	2.70	kPa	308.56	Calculated Property
Pvap	3.37	kPa	313.00	Calculated Property

Similar Compounds

Find more compounds similar to Methane, tetranitro-.

Sources

• Cheméo Relay (1.0)
• 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
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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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