S-allyl O-pentyl dithiocarbonate

Melting point / freezing point

Link to relevant study record(s)

Reference

Endpoint:

melting point/freezing point

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

QSAR prediction: US EPA accepted QSAR method for organic chemicals properties assessment.

Qualifier:

according to guideline

Guideline:

other: QSAR data

Principles of method if other than guideline:

MPBPWIN (v.1.43)

GLP compliance:

no

Remarks:

not applicable to QSAR models

Type of method:

other: QSAR

Melting / freezing pt.:

50.88 °C

Atm. press.:

0.003 mm Hg

Decomposition:

no

Sublimation:

no

Overview of QSARs estimations on melting/freezing point of S-allyl O-pentyl dithiocarbonate/Carbonic acid, dithio-, S-allyl O-pentyl ester/AIAXE

Method	Results	Remarks	Reference
QSAR estimate	Melting Point:   51.63 deg C (Adapted Joback Method) Melting Point:   50.13 deg C (Gold and Ogle Method) Mean Melt Pt :   50.88 deg C (Joback; Gold,Ogle Methods)  Selected MP:   50.88 deg C (Mean Value)	Valid with restrictions (2); QSAR method; Estimated values	MPBPWIN (v.1.43)

Conclusions:

Using the EPI Suite Mpbwin (v.1.43) QSAR model, a Melting Point of 50.88 deg C (Weighted Value) was established.

Executive summary:

Using the EPI Suite Mpbwin (v.1.43) QSAR model, a Melting Point of 50.88  deg C (Weighted Value) was established.

Description of key information

Using the EPI Suite Mpbwin (v.1.43) QSAR model, a Melting Point of 50.88  deg C (Weighted Value) was established.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:

50.88 °C