Chemical Properties of Malaoxon (CAS 1634-78-2)

InChI

InChI=1S/C10H19O7PS/c1-5-16-9(11)7-8(10(12)17-6-2)19-18(13,14-3)15-4/h8H,5-7H2,1-4H3

InChI Key

WSORODGWGUUOBO-UHFFFAOYSA-N

Formula

SMILES

CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC

Molecular Weight¹

314.29

CAS

1634-78-2

Other Names

(1,4-diethoxy-1,4-dioxobutan-2-yl)sulfanyl-hydroxy-dimethoxyphosphanium
Butanedioic acid, 2-[(dimethoxyphosphinyl)thio]-, 1,4-diethyl ester
Butanedioic acid, [(dimethoxyphosphinyl)thio]-, diethyl ester
Carbethoxy malaoxon
Diethyl mercaptosuccinate S-ester with O,O-dimethyl phosphorothioate
Liromat
Malaoxone
Malathion-O-analog
Maloxon
NCI-C08628
O,O-Dimethyl S-1,2-bis(ethoxycarbonyl)ethyl phosphorothioate
O,O-Dimethyl-S-(1,2-dicarbethoxy)ethyl phosphorothioate
Oxycarbophos
Phosphorothioic acid, O,O-dimethyl ester, S-ester with 1,2-bis(ethoxycarbonyl)ethanethiol
S-(1,2-Diethoxycarbonyl)ethyl O,O-dimethyl phosphorothioate
Succinic acid, mercapto-, diethyl ester, S-ester with O,O-dimethyl phosphorothioate

ω : Acentric Factor.
Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
Δ_fH°_gas : Enthalpy of formation 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.

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Physical Properties

Property	Value	Unit	Source
ω	0.6571		Relay (1.0) Calculated Property
Δ_fG°	-722.42	kJ/mol	Relay (1.0-beta) Calculated Property
Δ_fH°_gas	-1337.42	kJ/mol	Relay (1.0) Calculated Property
Δ_vapH°	72.77	kJ/mol	Relay (1.0) Calculated Property
IE	9.27	eV	Relay (1.0) Calculated Property
log₁₀WS	-3.34		Aq. Solubility Prediction
logP_oct/wat	2.005		Crippen Calculated Property
McVol	221.060	ml/mol	McGowan Calculated Property
P_c	1782.69	kPa	Relay (1.0-beta) Calculated Property
I_np	1838.00		NIST
T_boil	592.89	K	Relay (1.0) Calculated Property
T_c	766.23	K	Relay (1.0) Calculated Property
T_fus	275.04	K	Relay (1.0) Calculated Property
V_c	0.806	m³/kmol	Relay (1.0) Calculated Property

Similar Compounds

Malathion.

(-)-Bunolol, PFB-TMS.

Uridine, 2',5'-bis-O-acetyl, 3'-O-TBDMS.

Carteolol, PFB-TMS.

Thymine, 1-alpha-l-rhamnopyranosyl-.

Aflatoxin G2.

Galathan, 1,2,3,12,15,16-hexadehydro-9,10-[methylenebis(oxy)]-.

N6,N6-Dimethyladenosine.

7-Angeloyl-1-formyl-6,7-dihydro-5H-pyrrolizine.

Yohimbine.

Oxymorphone.

Tazettine.

Uridine, 2'-O-acetyl, 3',5'-bis-O-TBDMS.

Benazepril Me.

5'-S-Methyl-5'-thioadenosine, O,O'-bis(trifluoroacetyl)-.

Find more compounds similar to Malaoxon.

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
Aqueous Solubility Prediction Method
McGowan Method
NIST Webbook

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