Chemical Properties of Nitric acid, pentyl ester (CAS 1002-16-0)

InChI

InChI=1S/C5H11NO3/c1-2-3-4-5-9-6(7)8/h2-5H2,1H3

InChI Key

HSNWZBCBUUSSQD-UHFFFAOYSA-N

Formula

C5H11NO3

SMILES

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

Molecular Weight¹

133.15

CAS

1002-16-0

Other Names

• Amyl nitrate
• Amylester kyseliny dusicne
• Nitrate D'amyle
• Pentyl nitrate
• UN 1112
• n-Amyl nitrate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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 : 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	0.5336		Relay (1.0) Calculated Property
ΔfH°gas	-223.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.25	kJ/mol	Joback Calculated Property
ΔvapH°	47.55	kJ/mol	Relay (1.0) Calculated Property
IE	10.92	eV	Relay (1.0) Calculated Property
log10WS	-2.15		Relay (1.0) Calculated Property
logPoct/wat	1.385		Crippen Calculated Property
McVol	104.600	ml/mol	McGowan Calculated Property
Pc	3448.03	kPa	Joback Calculated Property
Inp	[900.00; 905.00]
Inp	900.00		NIST
Inp	901.00		NIST
Inp	902.00		NIST
Inp	903.00		NIST
Inp	905.00		NIST
Inp	905.00		NIST
Inp	900.00		NIST
I	[1220.00; 1220.00]
I	1220.00		NIST
I	1220.00		NIST
Tboil	425.20	K	Relay (1.0) Calculated Property
Tc	616.26	K	Relay (1.0) Calculated Property
Tfus	196.70	K	Relay (1.0) Calculated Property
Vc	0.398	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[230.86; 286.61]	J/mol×K	[488.06; 690.93]
Cp,gas	230.86	J/mol×K	488.06	Joback Calculated Property
Cp,gas	241.26	J/mol×K	521.87	Joback Calculated Property
Cp,gas	251.21	J/mol×K	555.68	Joback Calculated Property
Cp,gas	260.71	J/mol×K	589.49	Joback Calculated Property
Cp,gas	269.78	J/mol×K	623.31	Joback Calculated Property
Cp,gas	278.41	J/mol×K	657.12	Joback Calculated Property
Cp,gas	286.61	J/mol×K	690.93	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[316.32; 456.63]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45226e+01
Coefficient B			-3.66206e+03
Coefficient C			-5.90640e+01
Temperature range, min.			316.32
Temperature range, max.			456.63
Pvap	1.33	kPa	316.32	Calculated Property
Pvap	3.01	kPa	331.91	Calculated Property
Pvap	6.21	kPa	347.50	Calculated Property
Pvap	11.91	kPa	363.09	Calculated Property
Pvap	21.43	kPa	378.68	Calculated Property
Pvap	36.52	kPa	394.27	Calculated Property
Pvap	59.34	kPa	409.86	Calculated Property
Pvap	92.53	kPa	425.45	Calculated Property
Pvap	139.14	kPa	441.04	Calculated Property
Pvap	202.64	kPa	456.63	Calculated Property

Similar Compounds

Find more compounds similar to Nitric acid, pentyl 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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