Chemical Properties of Ethane, nitro- (CAS 79-24-3)

InChI

InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3

InChI Key

MCSAJNNLRCFZED-UHFFFAOYSA-N

Formula

C2H5NO2

SMILES

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

Molecular Weight¹

75.07

CAS

79-24-3

Other Names

• C2H5NO2
• NE
• Nitroetan
• Nitroethane
• Nitroparaffin
• UN 2842

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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°_liquid : Liquid 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_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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• NFPA Safety : NFPA Safety Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3410		KDB
PAff	765.70	kJ/mol	NIST
BasG	733.20	kJ/mol	NIST
ΔcH°liquid	[-1361.60; -1358.00]	kJ/mol
ΔcH°liquid	-1358.00 ± 0.40	kJ/mol	NIST
ΔcH°liquid	-1358.00 ± 1.00	kJ/mol	NIST
ΔcH°liquid	-1361.60 ± 1.30	kJ/mol	NIST
ΔfG°	1.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-82.39	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	[-144.00; -140.10]	kJ/mol
ΔfH°liquid	-144.00 ± 0.40	kJ/mol	NIST
ΔfH°liquid	-143.60 ± 1.10	kJ/mol	NIST
ΔfH°liquid	-140.10 ± 1.30	kJ/mol	NIST
ΔfusH°	12.30	kJ/mol	Joback Calculated Property
ΔvapH°	41.60 ± 0.42	kJ/mol	NIST
IE	[10.88; 11.02]	eV
IE	10.90 ± 0.05	eV	NIST
IE	10.92 ± 0.01	eV	NIST
IE	10.88 ± 0.05	eV	NIST
IE	11.02	eV	NIST
log10WS	[-0.22; -0.22]
log10WS	-0.22		Aq. Solubility Prediction
log10WS	-0.22		Estimated Solubility
logPoct/wat	0.283		Crippen Calculated Property
McVol	56.460	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
NFPA Health	1		KDB
NFPA Safety	2		KDB
Pc	4850.00	kPa	KDB
Inp	[567.80; 655.00]
Inp	618.58		NIST
Inp	619.51		NIST
Inp	620.51		NIST
Inp	616.27		NIST
Inp	615.97		NIST
Inp	615.90		NIST
Inp	616.07		NIST
Inp	616.25		NIST
Inp	616.67		NIST
Inp	617.22		NIST
Inp	617.81		NIST
Inp	Outlier 567.80		NIST
Inp	Outlier 572.00		NIST
Inp	638.00		NIST
Inp	638.00		NIST
Inp	634.00		NIST
Inp	592.00		NIST
Inp	609.00		NIST
Inp	623.00		NIST
Inp	598.00		NIST
Inp	590.00		NIST
Inp	583.00		NIST
Inp	636.89		NIST
Inp	590.00		NIST
Inp	618.00		NIST
Inp	623.00		NIST
Inp	618.00		NIST
Inp	Outlier 655.00		NIST
Inp	590.00		NIST
Inp	618.58		NIST
Inp	615.90		NIST
Inp	617.81		NIST
Inp	634.00		NIST
I	[1161.00; 1199.20]
I	1194.20		NIST
I	1196.20		NIST
I	1199.20		NIST
I	1179.40		NIST
I	1181.30		NIST
I	1183.90		NIST
I	1187.30		NIST
I	1190.20		NIST
I	1168.00		NIST
I	1161.00		NIST
I	1161.00		NIST
Tboil	[387.00; 388.20]	K
Tboil	387.20	K	KDB
Tboil	388.20	K	NIST
Tboil	387.90 ± 0.25	K	NIST
Tboil	387.22 ± 0.05	K	NIST
Tboil	387.40 ± 0.60	K	NIST
Tboil	387.00 ± 0.60	K	NIST
Tboil	387.65 ± 2.00	K	NIST
Tc	595.00	K	KDB
Tfus	[183.63; 223.00]	K
Tfus	183.90	K	Aq. Solubility Prediction
Tfus	223.00	K	KDB
Tfus	183.63 ± 0.05	K	NIST
Ttriple	183.69 ± 0.04	K	NIST
Vc	0.211	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[99.23; 131.79]	J/mol×K	[397.00; 608.77]
Cp,gas	99.23	J/mol×K	397.00	Joback Calculated Property
Cp,gas	105.38	J/mol×K	432.30	Joback Calculated Property
Cp,gas	111.24	J/mol×K	467.59	Joback Calculated Property
Cp,gas	116.79	J/mol×K	502.89	Joback Calculated Property
Cp,gas	122.07	J/mol×K	538.18	Joback Calculated Property
Cp,gas	127.07	J/mol×K	573.48	Joback Calculated Property
Cp,gas	131.79	J/mol×K	608.77	Joback Calculated Property
Cp,liquid	134.22	J/mol×K	298.15	NIST
ΔfusH	[9.85; 9.85]	kJ/mol	[183.69; 183.70]
ΔfusH	9.85	kJ/mol	183.69	NIST
ΔfusH	9.85	kJ/mol	183.70	NIST
ΔfusH	9.85	kJ/mol	183.70	NIST
ΔvapH	[35.15; 41.30]	kJ/mol	[319.50; 387.20]
ΔvapH	41.30	kJ/mol	319.50	NIST
ΔvapH	38.60	kJ/mol	356.00	NIST
ΔvapH	35.15	kJ/mol	387.20	KDB
Pvap	[6.10; 33.11]	kPa	[313.15; 353.15]
Pvap	6.10	kPa	313.15	Vapor-Liquid Equilibria on Four Binary Systems: 2-Phenylpropionaldehyde + Phenol, Propylene Glycol Monomethyl Ether + Nitroethane, Dimethyl Ether + Propylene, and N-Butyric Acid + Propionic Acid
Pvap	33.11	kPa	353.15	Vapor-Liquid Equilibria on Four Binary Systems: 2-Phenylpropionaldehyde + Phenol, Propylene Glycol Monomethyl Ether + Nitroethane, Dimethyl Ether + Propylene, and N-Butyric Acid + Propionic Acid
n0	[1.38950; 1.38980]		[298.15; 298.15]
n0	1.38951		298.15	Isothermal vapor liquid equilibria and excess Gibbs free energies in some binary nitroalkane + chloroalkane mixtures at temperatures from 298.15 K to 318.15 K
n0	1.38950		298.15	Isothermal (vapour + liquid) equilibria for (nitromethane or nitroethane + 1,4-dichlorobutane) binary systems at temperatures between (343.15 and 363.15) K
n0	1.38980		298.15	Isothermal Vapor Liquid Equilibria for Nitromethane and Nitroethane + 1,3-Dichloropropane Binary Systems at Temperatures between (343.15 and 363.15) K
ΔfusS	53.64	J/mol×K	183.69	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[285.14; 412.27]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52739e+01
Coefficient B			-3.77809e+03
Coefficient C			-3.30350e+01
Temperature range, min.			285.14
Temperature range, max.			412.27
Pvap	1.33	kPa	285.14	Calculated Property
Pvap	2.95	kPa	299.27	Calculated Property
Pvap	6.04	kPa	313.39	Calculated Property
Pvap	11.52	kPa	327.52	Calculated Property
Pvap	20.73	kPa	341.64	Calculated Property
Pvap	35.42	kPa	355.77	Calculated Property
Pvap	57.87	kPa	369.89	Calculated Property
Pvap	90.89	kPa	384.02	Calculated Property
Pvap	137.84	kPa	398.14	Calculated Property
Pvap	202.65	kPa	412.27	Calculated Property
Pvap	[5.26e-05; 5001.53]	kPa	[183.63; 593.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			6.04445e+01
Coefficient B			-6.61641e+03
Coefficient C			-6.59835e+00
Coefficient D			3.87418e-06
Temperature range, min.			183.63
Temperature range, max.			593.00
Pvap	5.26e-05	kPa	183.63	Calculated Property
Pvap	0.02	kPa	229.12	Calculated Property
Pvap	0.66	kPa	274.60	Calculated Property
Pvap	8.23	kPa	320.09	Calculated Property
Pvap	50.58	kPa	365.57	Calculated Property
Pvap	198.20	kPa	411.06	Calculated Property
Pvap	574.39	kPa	456.54	Calculated Property
Pvap	1351.02	kPa	502.03	Calculated Property
Pvap	2741.27	kPa	547.51	Calculated Property
Pvap	5001.53	kPa	593.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethane, nitro-.

Mixtures

• Butane, 1-chloro- + Ethane, nitro-
• Ethane, nitro- + Pentane, 1-chloro-
• Butane, 1,4-dichloro- + Ethane, nitro-
• Ethane, nitro- + 2-Propanol, 1-methoxy-
• Ethane, nitro- + Propane, 1,3-dichloro-
• Ethane, nitro- + Ethane, 1,2-dichloro-

Sources

• KDB Pure (Korean Thermophysical Properties Databank)
• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Isothermal vapour liquid equilibria for 1,2-dichloroethane + nitromethane and + nitroethane binary systems at temperatures between 333.15 and 353.15K
• Isothermal vapor liquid equilibria and excess Gibbs free energies in some binary nitroalkane + chloroalkane mixtures at temperatures from 298.15 K to 318.15 K
• Isothermal (vapour + liquid) equilibria for (nitromethane or nitroethane + 1,4-dichlorobutane) binary systems at temperatures between (343.15 and 363.15) K
• Vapor-Liquid Equilibria on Four Binary Systems: 2-Phenylpropionaldehyde + Phenol, Propylene Glycol Monomethyl Ether + Nitroethane, Dimethyl Ether + Propylene, and N-Butyric Acid + Propionic Acid
• Isothermal Vapor Liquid Equilibria for Nitromethane and Nitroethane + 1,3-Dichloropropane Binary Systems at Temperatures between (343.15 and 363.15) K
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.