Chemical Properties of Nitric acid, 1-methylpropyl ester (CAS 924-52-7)

InChI

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

InChI Key

DYONNFFVDNILGI-UHFFFAOYSA-N

Formula

C4H9NO3

SMILES

CCC(C)O[N+](=O)[O-]

Molecular Weight¹

119.12

CAS

924-52-7

Other Names

• 2-Butyl nitrate
• C2H5CH(CH3)ONO2
• Nitric acid, sec-butyl ester
• sec-Butyl Nitrate

• 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).
• 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°	43.11	kJ/mol	Joback Calculated Property
log10WS	-1.77		Crippen Calculated Property
logPoct/wat	0.993		Crippen Calculated Property
McVol	90.510	ml/mol	McGowan Calculated Property
Pc	3911.14	kPa	Joback Calculated Property
Inp	[739.00; 739.00]
Inp	739.00		NIST
Inp	739.00		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

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[294.72; 422.13]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.48992e+01
Coefficient B			-3.55299e+03
Coefficient C			-5.15580e+01
Temperature range, min.			294.72
Temperature range, max.			422.13
Pvap	1.33	kPa	294.72	Calculated Property
Pvap	2.98	kPa	308.88	Calculated Property
Pvap	6.12	kPa	323.03	Calculated Property
Pvap	11.71	kPa	337.19	Calculated Property
Pvap	21.06	kPa	351.35	Calculated Property
Pvap	35.94	kPa	365.50	Calculated Property
Pvap	58.57	kPa	379.66	Calculated Property
Pvap	91.67	kPa	393.82	Calculated Property
Pvap	138.45	kPa	407.97	Calculated Property
Pvap	202.63	kPa	422.13	Calculated Property

Similar Compounds

Find more compounds similar to Nitric acid, 1-methylpropyl ester.

Sources

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

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