Chemical Properties of Carbosulfan (CAS 55285-14-8)

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

CAS

55285-14-8

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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.9035		Relay (1.0) Calculated Property
ΔfG°	200.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-482.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.59	kJ/mol	Joback Calculated Property
ΔvapH°	103.60	kJ/mol	Relay (1.0) Calculated Property
IE	7.24	eV	Relay (1.0) 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
Pc	1465.73	kPa	Joback Calculated Property
Inp	[2407.00; 2407.00]
Inp	2407.00		NIST
Inp	2407.00		NIST
Tboil	651.73	K	Relay (1.0) Calculated Property
Tc	889.13	K	Relay (1.0) Calculated Property
Tfus	331.34	K	Relay (1.0) Calculated Property
Vc	1.161	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[990.16; 1101.94]	J/mol×K	[897.52; 1114.32]
Cp,gas	990.16	J/mol×K	897.52	Joback Calculated Property
Cp,gas	1009.21	J/mol×K	933.65	Joback Calculated Property
Cp,gas	1027.87	J/mol×K	969.79	Joback Calculated Property
Cp,gas	1046.31	J/mol×K	1005.92	Joback Calculated Property
Cp,gas	1064.69	J/mol×K	1042.05	Joback Calculated Property
Cp,gas	1083.18	J/mol×K	1078.19	Joback Calculated Property
Cp,gas	1101.94	J/mol×K	1114.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to Carbosulfan.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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