Chemical Properties of Nitric acid, propyl ester (CAS 627-13-4)

InChI

InChI=1S/C3H7NO3/c1-2-3-7-4(5)6/h2-3H2,1H3

InChI Key

JNTOKFNBDFMTIV-UHFFFAOYSA-N

Formula

C3H7NO3

SMILES

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

Molecular Weight¹

105.09

CAS

627-13-4

Other Names

• Monopropyl nitrate
• Nitrate de propyle normal
• Propyl nitrate
• Propylester kyseliny dusicne
• UN 1865
• n-C3H7ONO2
• n-Propyl nitrate

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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
ΔcH°liquid	-1966.00 ± 1.00	kJ/mol	NIST
ΔfG°	-95.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-248.23	kJ/mol	Joback Calculated Property
ΔfH°liquid	-215.00 ± 1.00	kJ/mol	NIST
ΔfusH°	16.07	kJ/mol	Joback Calculated Property
ΔvapH°	40.58	kJ/mol	NIST
IE	11.07 ± 0.02	eV	NIST
log10WS	-1.24		Crippen Calculated Property
logPoct/wat	0.605		Crippen Calculated Property
McVol	76.420	ml/mol	McGowan Calculated Property
Pc	4379.97	kPa	Joback Calculated Property
Inp	[700.00; 700.00]
Inp	700.00		NIST
Inp	700.00		NIST
Tboil	[383.60; 383.70]	K
Tboil	383.70 ± 0.50	K	NIST
Tboil	383.60 ± 1.50	K	NIST
Tc	650.60	K	Joback Calculated Property
Tfus	289.41	K	Joback Calculated Property
Vc	0.303	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[153.09; 194.49]	J/mol×K	[442.30; 650.60]
Cp,gas	153.09	J/mol×K	442.30	Joback Calculated Property
Cp,gas	160.73	J/mol×K	477.02	Joback Calculated Property
Cp,gas	168.08	J/mol×K	511.73	Joback Calculated Property
Cp,gas	175.13	J/mol×K	546.45	Joback Calculated Property
Cp,gas	181.89	J/mol×K	581.17	Joback Calculated Property
Cp,gas	188.34	J/mol×K	615.88	Joback Calculated Property
Cp,gas	194.49	J/mol×K	650.60	Joback Calculated Property
ΔvapH	41.70	kJ/mol	308.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[283.53; 408.21]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.48152e+01
Coefficient B			-3.42648e+03
Coefficient C			-4.76680e+01
Temperature range, min.			283.53
Temperature range, max.			408.21
Pvap	1.33	kPa	283.53	Calculated Property
Pvap	2.99	kPa	297.38	Calculated Property
Pvap	6.14	kPa	311.24	Calculated Property
Pvap	11.75	kPa	325.09	Calculated Property
Pvap	21.15	kPa	338.94	Calculated Property
Pvap	36.07	kPa	352.80	Calculated Property
Pvap	58.75	kPa	366.65	Calculated Property
Pvap	91.87	kPa	380.50	Calculated Property
Pvap	138.63	kPa	394.36	Calculated Property
Pvap	202.66	kPa	408.21	Calculated Property

Similar Compounds

Find more compounds similar to Nitric acid, propyl ester.

Sources

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

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