Chemical Properties of Nitric acid, 2-methylpropyl ester (CAS 543-29-3)

InChI

InChI=1S/C4H9NO3/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3

InChI Key

LNNXFUZKZLXPOF-UHFFFAOYSA-N

Formula

C4H9NO3

SMILES

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

Molecular Weight¹

119.12

CAS

543-29-3

Other Names

• ?
• Isobutyl nitrate
• Nitric acid, isobutyl ester

• ω : Acentric Factor.
• 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).
• 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.
• 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
ω	0.4676		Relay (1.0) Calculated Property
ΔfG°	-89.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-210.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.14	kJ/mol	Joback Calculated Property
ΔvapH°	42.17	kJ/mol	NIST
IE	11.00	eV	Relay (1.0) Calculated Property
log10WS	-1.39		Relay (1.0) Calculated Property
logPoct/wat	0.851		Crippen Calculated Property
McVol	90.510	ml/mol	McGowan Calculated Property
Pc	3911.14	kPa	Joback Calculated Property
Inp	739.00		NIST
Tboil	[396.05; 397.15]	K
Tboil	396.60	K	NIST
Tboil	396.75 ± 0.40	K	NIST
Tboil	396.05 ± 0.30	K	NIST
Tboil	397.15 ± 2.00	K	NIST
Tc	579.49	K	Relay (1.0) Calculated Property
Tfus	200.40	K	Relay (1.0) Calculated Property
Vc	0.332	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[191.08; 241.46]	J/mol×K	[464.74; 675.22]
Cp,gas	191.08	J/mol×K	464.74	Joback Calculated Property
Cp,gas	200.48	J/mol×K	499.82	Joback Calculated Property
Cp,gas	209.47	J/mol×K	534.90	Joback Calculated Property
Cp,gas	218.07	J/mol×K	569.98	Joback Calculated Property
Cp,gas	226.27	J/mol×K	605.06	Joback Calculated Property
Cp,gas	234.06	J/mol×K	640.14	Joback Calculated Property
Cp,gas	241.46	J/mol×K	675.22	Joback Calculated Property
ΔvapH	42.80	kJ/mol	308.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[292.24; 422.32]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46131e+01
Coefficient B			-3.45028e+03
Coefficient C			-5.13910e+01
Temperature range, min.			292.24
Temperature range, max.			422.32
Pvap	1.33	kPa	292.24	Calculated Property
Pvap	3.00	kPa	306.69	Calculated Property
Pvap	6.19	kPa	321.15	Calculated Property
Pvap	11.86	kPa	335.60	Calculated Property
Pvap	21.34	kPa	350.05	Calculated Property
Pvap	36.38	kPa	364.51	Calculated Property
Pvap	59.15	kPa	378.96	Calculated Property
Pvap	92.31	kPa	393.41	Calculated Property
Pvap	138.96	kPa	407.87	Calculated Property
Pvap	202.62	kPa	422.32	Calculated Property

Similar Compounds

Find more compounds similar to Nitric acid, 2-methylpropyl ester.

Sources

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

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