Chemical Properties of 2,4,6-Trinitrophenoxyethyl nitrate (CAS 62030-33-5)

InChI

InChI=1S/C8H6N4O10/c13-7(3-22-12(20)21)8-5(10(16)17)1-4(9(14)15)2-6(8)11(18)19/h1-2,7,13H,3H2

InChI Key

FZGJOYSOYXPXNM-UHFFFAOYSA-N

Formula

C8H6N4O10

SMILES

O=[N+]([O-])OCC(O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

Molecular Weight¹

318.15

CAS

62030-33-5

• Δ_cH°_solid : Standard solid 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°_solid : Solid 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).
• 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°solid	[-3718.10; -3718.00]	kJ/mol
ΔcH°solid	-3718.10	kJ/mol	NIST
ΔcH°solid	-3718.00 ± 3.70	kJ/mol	NIST
ΔfG°	-2.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-339.10	kJ/mol	Joback Calculated Property
ΔfH°solid	[-287.70; -287.50]	kJ/mol
ΔfH°solid	-287.70	kJ/mol	NIST
ΔfH°solid	-287.50 ± 3.70	kJ/mol	NIST
ΔfusH°	56.55	kJ/mol	Joback Calculated Property
ΔvapH°	122.73	kJ/mol	Joback Calculated Property
log10WS	-4.11		Crippen Calculated Property
logPoct/wat	0.653		Crippen Calculated Property
McVol	181.240	ml/mol	McGowan Calculated Property
Pc	4062.13	kPa	Joback Calculated Property
Tboil	1145.58	K	Joback Calculated Property
Tc	1422.79	K	Joback Calculated Property
Tfus	886.39	K	Joback Calculated Property
Vc	0.735	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[538.82; 543.77]	J/mol×K	[1145.58; 1422.79]
Cp,gas	540.51	J/mol×K	1145.58	Joback Calculated Property
Cp,gas	542.58	J/mol×K	1191.78	Joback Calculated Property
Cp,gas	543.65	J/mol×K	1237.98	Joback Calculated Property
Cp,gas	543.77	J/mol×K	1284.19	Joback Calculated Property
Cp,gas	542.98	J/mol×K	1330.39	Joback Calculated Property
Cp,gas	541.31	J/mol×K	1376.59	Joback Calculated Property
Cp,gas	538.82	J/mol×K	1422.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4,6-Trinitrophenoxyethyl nitrate.

Sources

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

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.