Chemical Properties of 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-1«alpha»,4«alpha»,4a«beta»,5«alpha»,8«alpha»,8a«beta»-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-, (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-, 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

• 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).
• 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.

Physical Properties

Property	Value	Unit	Source
ΔfG°	222.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-16.93	kJ/mol	Joback Calculated Property
ΔfusH°	30.54	kJ/mol	Joback Calculated Property
ΔvapH°	65.80	kJ/mol	Joback Calculated Property
log10WS	-6.31		Estimat...
logPoct/wat	5.270		Crippen Calculated Property
McVol	201.340	ml/mol	McGowan Calculated Property
Pc	2515.07	kPa	Joback Calculated Property
Inp	[1925.00; 1998.00]
Inp	1953.00		NIST
Inp	1987.00		NIST
Inp	1959.00		NIST
Inp	1950.00		NIST
Inp	1925.00		NIST
Inp	1928.00		NIST
Inp	1929.00		NIST
Inp	1933.00		NIST
Inp	1926.00		NIST
Inp	1928.00		NIST
Inp	1930.00		NIST
Inp	1933.00		NIST
Inp	1932.18		NIST
Inp	1939.62		NIST
Inp	1948.72		NIST
Inp	1946.47		NIST
Inp	1950.51		NIST
Inp	1959.90		NIST
Inp	1961.08		NIST
Inp	1940.00		NIST
Inp	1990.00		NIST
Inp	Outlier 1998.00		NIST
Inp	1993.00		NIST
Inp	1943.00		NIST
Inp	1946.00		NIST
Inp	1950.00		NIST
Inp	1943.00		NIST
Inp	1925.00		NIST
Inp	1928.00		NIST
Inp	1948.72		NIST
Inp	1940.00		NIST
Inp	1990.00		NIST
Inp	1953.00		NIST
Inp	Outlier 1998.00		NIST
Inp	1943.00		NIST
Inp	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
Tboil	720.49	K	Joback Calculated Property
Tc	993.87	K	Joback Calculated Property
Tfus	[372.00; 377.00]	K
Tfus	372.00 ± 1.00	K	NIST
Tfus	377.00 ± 0.20	K	NIST
Vc	0.792	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[473.55; 576.66]	J/mol×K	[720.49; 993.87]
Cp,gas	473.55	J/mol×K	720.49	Joback Calculated Property
Cp,gas	486.10	J/mol×K	766.05	Joback Calculated Property
Cp,gas	499.48	J/mol×K	811.62	Joback Calculated Property
Cp,gas	514.47	J/mol×K	857.18	Joback Calculated Property
Cp,gas	531.81	J/mol×K	902.74	Joback Calculated Property
Cp,gas	552.29	J/mol×K	948.30	Joback Calculated Property
Cp,gas	576.66	J/mol×K	993.87	Joback Calculated Property
ΔfusH	4.15	kJ/mol	562.40	NIST
ΔsubH	91.80	kJ/mol	326.00	NIST
ΔvapH	75.10	kJ/mol	398.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[423.01; 817.37]	The Yaw...
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
Pvap	1.33	kPa	423.01	Calculated Property
Pvap	3.55	kPa	466.83	Calculated Property
Pvap	7.98	kPa	510.65	Calculated Property
Pvap	15.79	kPa	554.46	Calculated Property
Pvap	28.25	kPa	598.28	Calculated Property
Pvap	46.66	kPa	642.10	Calculated Property
Pvap	72.29	kPa	685.92	Calculated Property
Pvap	106.24	kPa	729.73	Calculated Property
Pvap	149.44	kPa	773.55	Calculated Property
Pvap	202.65	kPa	817.37	Calculated Property

Similar Compounds

Find more compounds similar to Aldrin.

Sources

• Crippen Method
• Joback Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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