Chemical Properties of Carbosulfan

InChI

InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3

InChI Key

JLQUFIHWVLZVTJ-UHFFFAOYSA-N

Formula

C20H32N2O3S

SMILES

CCCCN(CCCC)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2

Molecular Weight¹

380.55

Other Names

• Carbamic acid, [(dibutylamino)thio]methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
• 2,3-Dihydro-2,2-dimethyl-7-benzofuranyl[(dibutylamino)thio]methyl carbamate
• Advantage
• FMC 35001
• Marshal
• OMS 3022
• Posse
• Sheriff
• 2,3-dihydro-2,2-dimethyl-7-benzofuryl [(dibutylamino)thio]methylcarbamate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	55.18	kJ/mol	Joback Calculated Property
log10WS	-5.04		Relay (1.0) Calculated Property
logPoct/wat	5.296		Crippen Calculated Property
McVol	307.660	ml/mol	McGowan Calculated Property
Inp	[2407.00; 2407.00]
Inp	2407.00		NIST
Inp	2407.00		NIST
Tfus	322.22	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[982.55; 1090.60]	J/mol×K	[879.65; 1094.13]
Cp,gas	982.55	J/mol×K	879.65	Joback Calculated Property
Cp,gas	1001.27	J/mol×K	915.40	Joback Calculated Property
Cp,gas	1019.50	J/mol×K	951.14	Joback Calculated Property
Cp,gas	1037.38	J/mol×K	986.89	Joback Calculated Property
Cp,gas	1055.09	J/mol×K	1022.64	Joback Calculated Property
Cp,gas	1072.77	J/mol×K	1058.39	Joback Calculated Property
Cp,gas	1090.60	J/mol×K	1094.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Carbosulfan.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.