Chemical Properties of Nitric acid, ethyl ester (CAS 625-58-1)

InChI

InChI=1S/C2H5NO3/c1-2-6-3(4)5/h2H2,1H3

InChI Key

IDNUEBSJWINEMI-UHFFFAOYSA-N

Formula

C2H5NO3

SMILES

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

Molecular Weight¹

91.07

CAS

625-58-1

Other Names

• C2H5ONO2
• Ethyl nitrate
• Ethylester kyseliny dusicne
• NA 1993
• Nitric ether

• ω : Acentric Factor.
• 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_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).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• γ : Surface Tension (N/m).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3784		Relay (1.0) Calculated Property
ΔcH°liquid	-1311.20 ± 0.96	kJ/mol	NIST
ΔfH°gas	-155.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	[-191.00; -190.40]	kJ/mol
ΔfH°liquid	-190.40 ± 1.00	kJ/mol	NIST
ΔfH°liquid	-191.00 ± 3.00	kJ/mol	NIST
ΔfusH°	13.48	kJ/mol	Joback Calculated Property
ΔvapH°	[36.00; 36.28]	kJ/mol
ΔvapH°	36.28	kJ/mol	NIST
ΔvapH°	36.00	kJ/mol	NIST
ΔvapH°	36.00	kJ/mol	NIST
IE	11.22	eV	NIST
log10WS	-0.43		Relay (1.0) Calculated Property
logPoct/wat	0.215		Crippen Calculated Property
McVol	62.330	ml/mol	McGowan Calculated Property
Pc	4994.44	kPa	Joback Calculated Property
Inp	[611.90; 631.50]
Inp	611.90		NIST
Inp	631.50		NIST
Ip	[969.00; 969.00]
Ip	969.00		NIST
Ip	969.00		NIST
S°liquid	247.20	J/mol×K	NIST
Tboil	[360.40; 361.90]	K
Tboil	360.40	K	NIST
Tboil	360.90 ± 0.50	K	NIST
Tboil	361.90 ± 0.50	K	NIST
Tboil	361.85 ± 0.30	K	NIST
Tboil	360.75 ± 1.50	K	NIST
Tc	553.04	K	Relay (1.0) Calculated Property
Tfus	[171.15; 178.55]	K
Tfus	178.55	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	171.15 ± 0.60	K	NIST
Ttriple	[178.60; 178.60]	K
Ttriple	178.60 ± 0.20	K	NIST
Ttriple	178.60 ± 0.20	K	NIST

Cheméo can also estimate Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	170.30	J/mol×K	298.00	NIST
ΔfusH	[8.53; 8.53]	kJ/mol	[178.60; 178.60]
ΔfusH	8.53	kJ/mol	178.60	NIST
ΔfusH	8.53	kJ/mol	178.60	NIST
ΔfusH	8.53	kJ/mol	178.60	NIST
ΔfusH	8.53	kJ/mol	178.60	NIST
ΔvapH	[37.00; 37.30]	kJ/mol	[303.00; 317.00]
ΔvapH	37.00	kJ/mol	303.00	NIST
ΔvapH	37.30	kJ/mol	308.00	NIST
ΔvapH	37.00	kJ/mol	317.00	NIST
ΔfusS	[47.74; 47.74]	J/mol×K	[178.60; 178.60]
ΔfusS	47.74	J/mol×K	178.60	NIST
ΔfusS	47.74	J/mol×K	178.60	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[90.48; 187.24]	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			3.20610e+01
Coefficient B			2.29980e-01
Coefficient C			-5.24000e-05
Coefficient D			-2.24000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	90.48	J/mol×K	273.00	Calculated Property
Cp,gas	105.87	J/mol×K	353.78	Calculated Property
Cp,gas	120.27	J/mol×K	434.56	Calculated Property
Cp,gas	133.60	J/mol×K	515.33	Calculated Property
Cp,gas	145.79	J/mol×K	596.11	Calculated Property
Cp,gas	156.78	J/mol×K	676.89	Calculated Property
Cp,gas	166.49	J/mol×K	757.67	Calculated Property
Cp,gas	174.85	J/mol×K	838.44	Calculated Property
Cp,gas	181.79	J/mol×K	919.22	Calculated Property
Cp,gas	187.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[265.29; 383.67]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.48158e+01
Coefficient B			-3.25371e+03
Coefficient C			-4.13300e+01
Temperature range, min.			265.29
Temperature range, max.			383.67
Pvap	1.33	kPa	265.29	Calculated Property
Pvap	2.99	kPa	278.44	Calculated Property
Pvap	6.14	kPa	291.60	Calculated Property
Pvap	11.75	kPa	304.75	Calculated Property
Pvap	21.15	kPa	317.90	Calculated Property
Pvap	36.07	kPa	331.06	Calculated Property
Pvap	58.75	kPa	344.21	Calculated Property
Pvap	91.87	kPa	357.36	Calculated Property
Pvap	138.62	kPa	370.52	Calculated Property
Pvap	202.65	kPa	383.67	Calculated Property
Pvap	[2.15; 38.71]	kPa	[273.00; 333.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.44723e+01
Coefficient B			-3.07864e+03
Coefficient C			-4.83700e+01
Reference			Gray, Pratt, et al., 1956
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			273.00
Temperature range, max.			333.00
Pvap	2.15	kPa	273.00	Calculated Property
Pvap	3.20	kPa	279.67	Calculated Property
Pvap	4.64	kPa	286.33	Calculated Property
Pvap	6.60	kPa	293.00	Calculated Property
Pvap	9.22	kPa	299.67	Calculated Property
Pvap	12.65	kPa	306.33	Calculated Property
Pvap	17.09	kPa	313.00	Calculated Property
Pvap	22.75	kPa	319.67	Calculated Property
Pvap	29.86	kPa	326.33	Calculated Property
Pvap	38.71	kPa	333.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.04; 0.02]	N/m	[178.15; 361.15]	Jasper (1972), surface tension of pure liquid compounds Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K
Coefficient A			6.75487e-02
Coefficient B			-1.34500e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			178.15
Temperature range, max.			361.15
γ	0.04	N/m	178.15	Calculated Property
γ	0.04	N/m	198.48	Calculated Property
γ	0.04	N/m	218.82	Calculated Property
γ	0.04	N/m	239.15	Calculated Property
γ	0.03	N/m	259.48	Calculated Property
γ	0.03	N/m	279.82	Calculated Property
γ	0.03	N/m	300.15	Calculated Property
γ	0.02	N/m	320.48	Calculated Property
γ	0.02	N/m	340.82	Calculated Property
γ	0.02	N/m	361.15	Calculated Property

Similar Compounds

Find more compounds similar to Nitric acid, ethyl ester.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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