Chemical Properties of (2-Isocyanatoethyl)benzene (CAS 1943-82-4)

InChI

InChI=1S/C9H9NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2

InChI Key

HACRKYQRZABURO-UHFFFAOYSA-N

Formula

C9H9NO

SMILES

O=C=NCCc1ccccc1

Molecular Weight¹

147.17

CAS

1943-82-4

• Δ_fH°_gas : Enthalpy of formation 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	2.03	kJ/mol	Joback Calculated Property
ΔvapH°	47.44	kJ/mol	Joback Calculated Property
log10WS	-6.19		Crippen Calculated Property
logPoct/wat	1.565		Crippen Calculated Property
McVol	121.160	ml/mol	McGowan Calculated Property
Pc	3555.77	kPa	Joback Calculated Property
Inp	[1225.40; 1225.40]
Inp	1225.40		NIST
Inp	1225.40		NIST
Tboil	498.67	K	Joback Calculated Property
Tc	716.07	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to (2-Isocyanatoethyl)benzene.

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.