Chemical Properties of Ethanol, 2-nitro- (CAS 625-48-9)

InChI

InChI=1S/C2H5NO3/c4-2-1-3(5)6/h4H,1-2H2

InChI Key

KIPMDPDAFINLIV-UHFFFAOYSA-N

Formula

C2H5NO3

SMILES

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

Molecular Weight¹

91.07

CAS

625-48-9

Other Names

• «beta»-Nitroethanol
• 2-Nitroethanol
• «beta»-Nitroethyl alcohol
• Nitroethanol

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_liquid : Liquid phase 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_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6467		Relay (1.0) Calculated Property
ΔcH°liquid	[-1210.00; -921.32]	kJ/mol
ΔcH°liquid	-1210.00	kJ/mol	NIST
ΔcH°liquid	-1151.00	kJ/mol	NIST
ΔcH°liquid	-921.32	kJ/mol	NIST
ΔfH°liquid	-351.00	kJ/mol	NIST
ΔfusH°	16.39	kJ/mol	Joback Calculated Property
ΔvapH°	59.28	kJ/mol	Relay (1.0) Calculated Property
IE	10.96	eV	Relay (1.0) Calculated Property
log10WS	0.37		Relay (1.0) Calculated Property
logPoct/wat	-0.745		Crippen Calculated Property
McVol	62.330	ml/mol	McGowan Calculated Property
Pc	5862.92	kPa	Joback Calculated Property
Inp	[658.00; 658.00]
Inp	658.00		NIST
Inp	658.00		NIST
I	[2045.00; 2045.00]
I	2045.00		NIST
I	2045.00		NIST
Tboil	476.56	K	Relay (1.0) Calculated Property
Tc	708.62	K	Relay (1.0) Calculated Property
Tfus	242.54	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[87.58; 187.41]	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			1.18520e+01
Coefficient B			3.27160e-01
Coefficient C			-1.93800e-04
Coefficient D			4.22000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	87.58	J/mol×K	273.00	Calculated Property
Cp,gas	105.21	J/mol×K	353.78	Calculated Property
Cp,gas	120.89	J/mol×K	434.56	Calculated Property
Cp,gas	134.76	J/mol×K	515.33	Calculated Property
Cp,gas	146.95	J/mol×K	596.11	Calculated Property
Cp,gas	157.60	J/mol×K	676.89	Calculated Property
Cp,gas	166.83	J/mol×K	757.67	Calculated Property
Cp,gas	174.79	J/mol×K	838.44	Calculated Property
Cp,gas	181.61	J/mol×K	919.22	Calculated Property
Cp,gas	187.41	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethanol, 2-nitro-.

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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