Chemical Properties of Benzeneethanol, 2-nitro-, acetate (CAS 833-43-2)

InChI

InChI=1S/C10H11NO4/c1-8(12)15-7-6-9-4-2-3-5-10(9)11(13)14/h2-5H,6-7H2,1H3

InChI Key

JTDNAYJQWWTNDA-UHFFFAOYSA-N

Formula

C10H11NO4

SMILES

CC(=O)OCCc1ccccc1[N+](=O)[O-]

Molecular Weight¹

209.20

CAS

833-43-2

Other Names

• Benzeneethanol, 2-nitro-, acetate (ester)
• Acetic acid, 2-(2-nitrophenyl)ethyl ester
• o-nitrophenethyl acetate

• 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).
• I_np : Non-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°	-62.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-280.23	kJ/mol	Joback Calculated Property
ΔfusH°	29.46	kJ/mol	Joback Calculated Property
ΔvapH°	66.54	kJ/mol	Joback Calculated Property
log10WS	-2.62		Crippen Calculated Property
logPoct/wat	1.700		Crippen Calculated Property
McVol	152.860	ml/mol	McGowan Calculated Property
Pc	3072.75	kPa	Joback Calculated Property
Inp	[1641.00; 1641.00]
Inp	1641.00		NIST
Inp	1641.00		NIST
Tboil	687.99	K	Joback Calculated Property
Tc	925.31	K	Joback Calculated Property
Tfus	457.17	K	Joback Calculated Property
Vc	0.594	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[395.14; 454.81]	J/mol×K	[687.99; 925.31]
Cp,gas	395.14	J/mol×K	687.99	Joback Calculated Property
Cp,gas	407.29	J/mol×K	727.54	Joback Calculated Property
Cp,gas	418.53	J/mol×K	767.10	Joback Calculated Property
Cp,gas	428.88	J/mol×K	806.65	Joback Calculated Property
Cp,gas	438.36	J/mol×K	846.20	Joback Calculated Property
Cp,gas	446.99	J/mol×K	885.75	Joback Calculated Property
Cp,gas	454.81	J/mol×K	925.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzeneethanol, 2-nitro-, acetate.

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.