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

• 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°	-89.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-274.15	kJ/mol	Joback Calculated Property
ΔfusH°	15.14	kJ/mol	Joback Calculated Property
ΔvapH°	42.17	kJ/mol	NIST
log10WS	-1.42		Crippen 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	675.22	K	Joback Calculated Property
Tfus	285.68	K	Joback Calculated Property
Vc	0.353	m3/kmol	Joback 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 Yaw...
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

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

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