Chemical Properties of Propane, 2-methyl-1-nitro- (CAS 625-74-1)

InChI

InChI=1S/C4H9NO2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3

InChI Key

XFXRMDNWSGXSNJ-UHFFFAOYSA-N

Formula

C4H9NO2

SMILES

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

Molecular Weight¹

103.12

CAS

625-74-1

Other Names

• (CH3)2CHCH2NO2
• 1-Nitro-2-methylpropane
• 1-Nitroisobutane
• 2-Methyl-1-nitropropane
• 2-Methyl-3-nitropropane

• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-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
ΔfG°	15.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-141.93	kJ/mol	Joback Calculated Property
ΔfusH°	13.95	kJ/mol	Joback Calculated Property
ΔvapH°	40.70	kJ/mol	Joback Calculated Property
log10WS	-1.34		Crippen Calculated Property
logPoct/wat	0.919		Crippen Calculated Property
McVol	84.640	ml/mol	McGowan Calculated Property
Pc	3995.65	kPa	Joback Calculated Property
Inp	[760.00; 776.00]
Inp	776.00		NIST
Inp	776.00		NIST
Inp	774.00		NIST
Inp	760.00		NIST
Inp	776.00		NIST
Tboil	414.87 ± 0.06	K	NIST
Tc	654.36	K	Joback Calculated Property
Tfus	196.30 ± 0.06	K	NIST
Vc	0.336	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[170.34; 220.79]	J/mol×K	[442.32; 654.36]
Cp,gas	170.34	J/mol×K	442.32	Joback Calculated Property
Cp,gas	179.92	J/mol×K	477.66	Joback Calculated Property
Cp,gas	189.01	J/mol×K	513.00	Joback Calculated Property
Cp,gas	197.63	J/mol×K	548.34	Joback Calculated Property
Cp,gas	205.79	J/mol×K	583.68	Joback Calculated Property
Cp,gas	213.51	J/mol×K	619.02	Joback Calculated Property
Cp,gas	220.79	J/mol×K	654.36	Joback Calculated Property
ΔvapH	41.10	kJ/mol	381.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[308.90; 440.69]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49334e+01
Coefficient B			-3.69678e+03
Coefficient C			-5.64840e+01
Temperature range, min.			308.90
Temperature range, max.			440.69
Pvap	1.33	kPa	308.90	Calculated Property
Pvap	2.98	kPa	323.54	Calculated Property
Pvap	6.11	kPa	338.19	Calculated Property
Pvap	11.69	kPa	352.83	Calculated Property
Pvap	21.04	kPa	367.47	Calculated Property
Pvap	35.90	kPa	382.12	Calculated Property
Pvap	58.52	kPa	396.76	Calculated Property
Pvap	91.61	kPa	411.40	Calculated Property
Pvap	138.42	kPa	426.05	Calculated Property
Pvap	202.66	kPa	440.69	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 2-methyl-1-nitro-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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