Chemical Properties of 4-Methylpentyl isothiocyanate (CAS 17608-07-0)

InChI

InChI=1S/C7H13NS/c1-7(2)4-3-5-8-6-9/h7H,3-5H2,1-2H3

InChI Key

CZWUENKYXFGDIG-UHFFFAOYSA-N

Formula

C7H13NS

SMILES

CC(C)CCCN=C=S

Molecular Weight¹

143.25

CAS

17608-07-0

• 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.
• I : 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	90.98	kJ/mol	Joback Calculated Property
ΔvapH°	41.23	kJ/mol	Joback Calculated Property
log10WS	-2.44		Crippen Calculated Property
logPoct/wat	2.525		Crippen Calculated Property
McVol	127.220	ml/mol	McGowan Calculated Property
Pc	2890.51	kPa	Joback Calculated Property
Inp	[1130.00; 1166.00]
Inp	1166.00		NIST
Inp	1162.30		NIST
Inp	1130.00		NIST
Inp	1136.00		NIST
Inp	1148.00		NIST
Inp	1162.30		NIST
I	[1487.00; 1533.00]
I	1487.00		NIST
I	1490.00		NIST
I	1500.00		NIST
I	1529.00		NIST
I	1533.00		NIST
Tboil	505.07	K	Joback Calculated Property
Tc	721.13	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Methylpentyl isothiocyanate.

Sources

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

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