Chemical Properties of Pentane, 1-nitro- (CAS 628-05-7)

InChI

InChI=1S/C5H11NO2/c1-2-3-4-5-6(7)8/h2-5H2,1H3

InChI Key

BVALZCVRLDMXOQ-UHFFFAOYSA-N

Formula

C5H11NO2

SMILES

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

Molecular Weight¹

117.15

CAS

628-05-7

Other Names

• 1-Nitropentane
• Nitropentane

• 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).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	-3324.00 ± 1.50	kJ/mol	NIST
ΔfG°	26.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-157.29	kJ/mol	Joback Calculated Property
ΔfH°liquid	-215.00 ± 1.50	kJ/mol	NIST
ΔfusH°	20.07	kJ/mol	Joback Calculated Property
ΔvapH°	50.30 ± 0.20	kJ/mol	NIST
log10WS	-2.00		Crippen Calculated Property
logPoct/wat	1.453		Crippen Calculated Property
McVol	98.730	ml/mol	McGowan Calculated Property
Pc	3517.91	kPa	Joback Calculated Property
Inp	[855.10; 947.00]
Inp	910.36		NIST
Inp	911.95		NIST
Inp	913.83		NIST
Inp	901.45		NIST
Inp	902.40		NIST
Inp	903.31		NIST
Inp	904.49		NIST
Inp	905.73		NIST
Inp	907.12		NIST
Inp	908.61		NIST
Inp	865.90		NIST
Inp	867.00		NIST
Inp	869.00		NIST
Inp	Outlier 855.10		NIST
Inp	890.00		NIST
Inp	906.00		NIST
Inp	896.00		NIST
Inp	905.00		NIST
Inp	947.00		NIST
Inp	925.63		NIST
Inp	946.04		NIST
Inp	902.00		NIST
Inp	941.00		NIST
Inp	896.00		NIST
Inp	941.00		NIST
Inp	902.00		NIST
Inp	947.00		NIST
Inp	910.36		NIST
Inp	903.31		NIST
Inp	865.90		NIST
Inp	906.00		NIST
I	[1405.80; 1434.50]
I	1428.60		NIST
I	1431.00		NIST
I	1434.50		NIST
I	1405.80		NIST
I	1409.60		NIST
I	1414.00		NIST
I	1418.80		NIST
I	1423.20		NIST
I	1428.60		NIST
I	1414.00		NIST
Tboil	445.70	K	NIST
Tc	670.05	K	Joback Calculated Property
Tfus	289.72	K	Joback Calculated Property
Vc	0.398	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[209.12; 265.10]	J/mol×K	[465.64; 670.05]
Cp,gas	209.12	J/mol×K	465.64	Joback Calculated Property
Cp,gas	219.70	J/mol×K	499.71	Joback Calculated Property
Cp,gas	229.76	J/mol×K	533.78	Joback Calculated Property
Cp,gas	239.31	J/mol×K	567.84	Joback Calculated Property
Cp,gas	248.37	J/mol×K	601.91	Joback Calculated Property
Cp,gas	256.96	J/mol×K	635.98	Joback Calculated Property
Cp,gas	265.10	J/mol×K	670.05	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Pentane, 1-nitro-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.