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

• 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.
• 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
ΔfG°	-78.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-289.51	kJ/mol	Joback Calculated Property
ΔfusH°	21.25	kJ/mol	Joback Calculated Property
ΔvapH°	45.73	kJ/mol	Joback Calculated Property
log10WS	-2.08		Crippen 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	905.00		NIST
Inp	900.00		NIST
I	1220.00		NIST
Tboil	488.06	K	Joback Calculated Property
Tc	690.93	K	Joback Calculated Property
Tfus	311.95	K	Joback Calculated Property
Vc	0.415	m3/kmol	Joback Calculated Property

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 Yaw...
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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.