Chemical Properties of Propane, 1-nitro- (CAS 108-03-2)

InChI

InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3

InChI Key

JSZOAYXJRCEYSX-UHFFFAOYSA-N

Formula

C3H7NO2

SMILES

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

Molecular Weight¹

89.09

CAS

108-03-2

Other Names

• 1-NP
• 1-Nitropan
• 1-Nitropropane
• N-Nitropropane
• NiPar S-10
• n-C3H7NO2

• ω : Acentric Factor.
• 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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• NFPA Safety : NFPA Safety Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• 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	0.3760		KDB
ΔcH°liquid	[-2014.00; -2000.00]	kJ/mol
ΔcH°liquid	-2014.00 ± 0.40	kJ/mol	NIST
ΔcH°liquid	-2012.10 ± 1.20	kJ/mol	NIST
ΔcH°liquid	-2013.40 ± 2.60	kJ/mol	NIST
ΔcH°liquid	-2000.00	kJ/mol	NIST
ΔfG°	9.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-116.01	kJ/mol	Joback Calculated Property
ΔfH°liquid	[-168.80; -167.00]	kJ/mol
ΔfH°liquid	-167.00 ± 0.40	kJ/mol	NIST
ΔfH°liquid	-168.80 ± 1.30	kJ/mol	NIST
ΔfH°liquid	-167.60 ± 2.60	kJ/mol	NIST
ΔfusH°	14.89	kJ/mol	Joback Calculated Property
ΔvapH°	[43.39; 43.90]	kJ/mol
ΔvapH°	43.90	kJ/mol	NIST
ΔvapH°	43.39 ± 0.42	kJ/mol	NIST
IE	[10.75; 10.95]	eV
IE	10.78 ± 0.03	eV	NIST
IE	10.95	eV	NIST
IE	10.75 ± 0.01	eV	NIST
IE	10.81 ± 0.03	eV	NIST
log10WS	[-0.80; -0.80]
log10WS	-0.80		Aq. Sol...
log10WS	-0.80		Estimat...
logPoct/wat	0.673		Crippen Calculated Property
McVol	70.550	ml/mol	McGowan Calculated Property
NFPA Fire	2		KDB
NFPA Health	1		KDB
NFPA Safety	3		KDB
Pc	4000.00	kPa	KDB
Inp	[660.50; 725.00]
Inp	708.43		NIST
Inp	709.77		NIST
Inp	711.18		NIST
Inp	702.10		NIST
Inp	702.42		NIST
Inp	702.92		NIST
Inp	703.52		NIST
Inp	704.26		NIST
Inp	705.13		NIST
Inp	706.13		NIST
Inp	707.16		NIST
Inp	Outlier 660.50		NIST
Inp	709.97		NIST
Inp	667.00		NIST
Inp	678.00		NIST
Inp	724.00		NIST
Inp	683.00		NIST
Inp	710.00		NIST
Inp	Outlier 661.90		NIST
Inp	Outlier 665.00		NIST
Inp	724.00		NIST
Inp	Outlier 662.00		NIST
Inp	678.00		NIST
Inp	667.00		NIST
Inp	712.00		NIST
Inp	724.00		NIST
Inp	724.00		NIST
Inp	723.00		NIST
Inp	686.00		NIST
Inp	677.00		NIST
Inp	710.00		NIST
Inp	707.00		NIST
Inp	708.00		NIST
Inp	711.00		NIST
Inp	711.00		NIST
Inp	712.00		NIST
Inp	709.00		NIST
Inp	711.00		NIST
Inp	715.00		NIST
Inp	706.00		NIST
Inp	711.00		NIST
Inp	712.00		NIST
Inp	712.00		NIST
Inp	686.00		NIST
Inp	708.00		NIST
Inp	708.00		NIST
Inp	725.00		NIST
Inp	707.00		NIST
Inp	725.00		NIST
Inp	686.00		NIST
Inp	725.00		NIST
Inp	708.43		NIST
Inp	702.92		NIST
Inp	707.16		NIST
Inp	724.00		NIST
I	[1216.40; 1279.00]
I	1246.10		NIST
I	1248.40		NIST
I	1251.60		NIST
I	1227.20		NIST
I	1230.40		NIST
I	1233.80		NIST
I	1237.80		NIST
I	1241.40		NIST
I	1216.40		NIST
I	Outlier 1279.00		NIST
I	1218.00		NIST
I	1251.00		NIST
I	1220.00		NIST
I	1218.00		NIST
I	1220.00		NIST
Tboil	404.70	K	KDB
Tc	606.00	K	KDB
Tfus	[165.00; 169.16]	K
Tfus	165.00	K	KDB
Tfus	169.16 ± 0.06	K	NIST
Tfus	168.59 ± 0.05	K	NIST
Vc	0.285	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[133.52; 174.74]	J/mol×K	[419.88; 629.40]
Cp,gas	133.52	J/mol×K	419.88	Joback Calculated Property
Cp,gas	141.31	J/mol×K	454.80	Joback Calculated Property
Cp,gas	148.72	J/mol×K	489.72	Joback Calculated Property
Cp,gas	155.75	J/mol×K	524.64	Joback Calculated Property
Cp,gas	162.43	J/mol×K	559.56	Joback Calculated Property
Cp,gas	168.75	J/mol×K	594.48	Joback Calculated Property
Cp,gas	174.74	J/mol×K	629.40	Joback Calculated Property
ΔvapH	[40.60; 42.60]	kJ/mol	[349.00; 367.50]
ΔvapH	42.60	kJ/mol	349.00	NIST
ΔvapH	40.60	kJ/mol	367.50	NIST
ρl	996.10	kg/m3	298.15	Speed o...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[297.67; 430.22]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52908e+01
Coefficient B			-3.95030e+03
Coefficient C			-3.43730e+01
Temperature range, min.			297.67
Temperature range, max.			430.22
Pvap	1.33	kPa	297.67	Calculated Property
Pvap	2.95	kPa	312.40	Calculated Property
Pvap	6.03	kPa	327.13	Calculated Property
Pvap	11.51	kPa	341.85	Calculated Property
Pvap	20.71	kPa	356.58	Calculated Property
Pvap	35.40	kPa	371.31	Calculated Property
Pvap	57.84	kPa	386.04	Calculated Property
Pvap	90.84	kPa	400.76	Calculated Property
Pvap	137.80	kPa	415.49	Calculated Property
Pvap	202.64	kPa	430.22	Calculated Property
Pvap	[7.78e-07; 4121.92]	kPa	[169.16; 605.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			6.95825e+01
Coefficient B			-7.26354e+03
Coefficient C			-7.96077e+00
Coefficient D			4.74813e-06
Temperature range, min.			169.16
Temperature range, max.			605.00
Pvap	7.78e-07	kPa	169.16	Calculated Property
Pvap	1.62e-03	kPa	217.59	Calculated Property
Pvap	0.16	kPa	266.01	Calculated Property
Pvap	3.23	kPa	314.44	Calculated Property
Pvap	26.30	kPa	362.87	Calculated Property
Pvap	122.39	kPa	411.29	Calculated Property
Pvap	396.10	kPa	459.72	Calculated Property
Pvap	1004.92	kPa	508.15	Calculated Property
Pvap	2157.14	kPa	556.57	Calculated Property
Pvap	4121.92	kPa	605.00	Calculated Property

Similar Compounds

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

Mixtures

• Propane, 1-nitro- + Decane
• Propane, 1-nitro- + Dodecane
• Propane, 1-nitro- + Tridecane
• Propane, 1-nitro- + Tetradecane
• Propane, 1-nitro- + Carbon dioxide

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