Aldrin (CAS 309-00-2)

InChI

InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6+,7-,10+,11-

InChI Key

QBYJBZPUGVGKQQ-SJJAEHHWSA-N

Formula

C12H8Cl6

SMILES

ClC1=C(Cl)C2(Cl)C3C4C=CC(C4)C3C1(Cl)C2(Cl)Cl

Molecular Weight¹

364.91

CAS

309-00-2

Other Names

(1R,4S,4aS,5S,8R,8aR)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene
1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-Hexahydro-1,4-endo-exo-5,8-dimethanonaphthalene
1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene, endo,exo-
1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-endo-1,4-exo-5,8-dimethanonaphthalene
1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-endo-exo-1,4:5,8-dimethanonaphthalene
1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-endo-exo-1,4:5,8-dimethylnaphthalene (aldrin)
1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-exo-1,4-endo-5,8-dimethanonaphthalene
1,2,3,4,10,10-Hexachloro-1«alpha»,4«alpha»,4a«beta»,5«alpha»,8«alpha»,8a«beta»-hexahydro1,4:5,8-dimethanonaphthalene
1,2,3,4,10,10-Hexachloro-1Â«alphaÂ»,4Â«alphaÂ»,4aÂ«betaÂ»,5Â«alphaÂ»,8Â«alphaÂ»,8aÂ«betaÂ»-hexahydro1,4:5,8-dimethanonaphthalene
1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (1«alpha»,4«alpha»,4a«beta»,5«alpha»,8«alpha»,8a«beta»)-
1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (1Â«alphaÂ»,4Â«alphaÂ»,4aÂ«betaÂ»,5Â«alphaÂ»,8Â«alphaÂ»,8aÂ«betaÂ»)-
1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, endo,exo-
Aldocit
Aldrex
Aldrex 40
Aldrin Dust
Aldrin-R
Aldrine
Aldrite
Aldron
Aldrosol
Algran
Compound 118
Drinox
ENT 15,949
HHDN
HHPN
Hexachlorohexahydro-endo, exo-dimethanonaphthalene
Kortofin
NCI-C00044
OMS-194
Octalene
SD 2794
Seedrin
Tatuzinho
Tipula

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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
Δ_vapH : Enthalpy of vaporization at a given temperature (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).
P_vap : Vapor pressure (kPa).
I_np : Non-polar retention indices.
I : 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	0.3187		Relay (1.0) Calculated Property
Δ_fG°	222.64	kJ/mol	Joback Calculated Property
Δ_fH°_gas	23.54	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	30.54	kJ/mol	Joback Calculated Property
Δ_vapH°	90.57	kJ/mol	Relay (1.0) Calculated Property
IE	8.77	eV	Relay (1.0) Calculated Property
log₁₀WS	-6.31		Estimated Solubility
logP_oct/wat	5.270		Crippen Calculated Property
McVol	201.340	ml/mol	McGowan Calculated Property
P_c	2515.07	kPa	Joback Calculated Property
I_np	[1925.00; 1998.00]
I_np	1953.00		NIST
I_np	1987.00		NIST
I_np	1959.00		NIST
I_np	1950.00		NIST
I_np	1925.00		NIST
I_np	1928.00		NIST
I_np	1929.00		NIST
I_np	1933.00		NIST
I_np	1926.00		NIST
I_np	1928.00		NIST
I_np	1930.00		NIST
I_np	1933.00		NIST
I_np	1932.18		NIST
I_np	1939.62		NIST
I_np	1948.72		NIST
I_np	1946.47		NIST
I_np	1950.51		NIST
I_np	1959.90		NIST
I_np	1961.08		NIST
I_np	1940.00		NIST
I_np	1990.00		NIST
I_np	Outlier 1998.00		NIST
I_np	1993.00		NIST
I_np	1943.00		NIST
I_np	1946.00		NIST
I_np	1950.00		NIST
I_np	1943.00		NIST
I_np	1925.00		NIST
I_np	1928.00		NIST
I_np	1948.72		NIST
I_np	1940.00		NIST
I_np	1990.00		NIST
I_np	1953.00		NIST
I_np	Outlier 1998.00		NIST
I_np	1943.00		NIST
I_np	1950.00		NIST
I	[2502.00; 2537.00]
I	2502.00		NIST
I	2536.00		NIST
I	2537.00		NIST
I	2536.00		NIST
I	2502.00		NIST
T_boil	577.95	K	Relay (1.0) Calculated Property
T_c	885.77	K	Relay (1.0) Calculated Property
T_fus	[372.00; 377.00]	K
T_fus	372.00 ± 1.00	K	NIST
T_fus	377.00 ± 0.20	K	NIST
V_c	0.734	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[473.55; 576.66]	J/mol×K	[720.49; 993.87]

C_p,gas	473.55	J/mol×K	720.49	Joback Calculated Property
C_p,gas	486.10	J/mol×K	766.05	Joback Calculated Property
C_p,gas	499.48	J/mol×K	811.62	Joback Calculated Property
C_p,gas	514.47	J/mol×K	857.18	Joback Calculated Property
C_p,gas	531.81	J/mol×K	902.74	Joback Calculated Property
C_p,gas	552.29	J/mol×K	948.30	Joback Calculated Property
C_p,gas	576.66	J/mol×K	993.87	Joback Calculated Property
Δ_fusH	4.15	kJ/mol	562.40	NIST
Δ_subH	91.80	kJ/mol	326.00	NIST
Δ_vapH	75.10	kJ/mol	398.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.65]	kPa	[423.01; 817.37]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.06740e+01
Coefficient B			-4.37206e+03
Coefficient C			-2.06700e+00
Temperature range, min.			423.01
Temperature range, max.			817.37

P_vap	1.33	kPa	423.01	Calculated Property
P_vap	3.55	kPa	466.83	Calculated Property
P_vap	7.98	kPa	510.65	Calculated Property
P_vap	15.79	kPa	554.46	Calculated Property
P_vap	28.25	kPa	598.28	Calculated Property
P_vap	46.66	kPa	642.10	Calculated Property
P_vap	72.29	kPa	685.92	Calculated Property
P_vap	106.24	kPa	729.73	Calculated Property
P_vap	149.44	kPa	773.55	Calculated Property
P_vap	202.65	kPa	817.37	Calculated Property

Similar Compounds

4,7-Methano-1H-indene, 4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro-.

Indene, 1,4,5,6,7,8,8-heptachloro-3alpha,4,7,7alpha-tetrahydro-4,7-methano-.

1,4,5,7,8,8-Hexachloro-3a,4,7,7a-tetrahydro-1H-4,7-methano-indene.

Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde, 1,4,5,6,7,7-hexachloro-.

4,7-Methano-1H-indene, 1,2,3,4,5,6,7,8,8-nonachloro-2,3,3a,4,7,7a-hexahydro-.

Find more compounds similar to Aldrin.

Sources

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Chemical Properties of Aldrin (CAS 309-00-2)

Physical Properties

Temperature Dependent Properties

Correlations

Similar Compounds

Sources