Chemical Properties of 1,8-Dichlorooctane (CAS 2162-99-4)

InChI

InChI=1S/C8H16Cl2/c9-7-5-3-1-2-4-6-8-10/h1-8H2

InChI Key

WXYMNDFVLNUAIA-UHFFFAOYSA-N

Formula

C8H16Cl2

SMILES

ClCCCCCCCCCl

Molecular Weight¹

183.12

CAS

2162-99-4

Other Names

• Octane, 1,8-dichloro-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.5438		Relay (1.0) Calculated Property
ΔfG°	-7.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-260.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.87	kJ/mol	Joback Calculated Property
ΔvapH°	65.60	kJ/mol	NIST
IE	10.19	eV	Relay (1.0) Calculated Property
log10WS	-4.92		Relay (1.0) Calculated Property
logPoct/wat	3.805		Crippen Calculated Property
McVol	148.060	ml/mol	McGowan Calculated Property
Pc	2356.49	kPa	Joback Calculated Property
Inp	[1332.00; 1332.00]
Inp	1332.00		NIST
Inp	1332.00		NIST
Tboil	514.20	K	NIST
Tc	699.24	K	Relay (1.0) Calculated Property
Tfus	265.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.571	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[47.30; 55.90]	kJ/mol	[415.50; 460.00]
ΔvapH	47.30	kJ/mol	415.50	NIST
ΔvapH	55.90	kJ/mol	460.00	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[388.70; 391.70]	K	[1.50; 1.90]
Tboilr	388.70	K	1.50	NIST
Tboilr	391.70	K	1.90	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[202.00; 448.60]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.13980e+01
Coefficient B			7.77400e-01
Coefficient C			-4.52200e-04
Coefficient D			1.02000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	202.00	J/mol×K	273.00	Calculated Property
Cp,gas	244.34	J/mol×K	353.78	Calculated Property
Cp,gas	282.20	J/mol×K	434.56	Calculated Property
Cp,gas	315.89	J/mol×K	515.33	Calculated Property
Cp,gas	345.73	J/mol×K	596.11	Calculated Property
Cp,gas	372.06	J/mol×K	676.89	Calculated Property
Cp,gas	395.18	J/mol×K	757.67	Calculated Property
Cp,gas	415.43	J/mol×K	838.44	Calculated Property
Cp,gas	433.13	J/mol×K	919.22	Calculated Property
Cp,gas	448.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027181; 0.0003198]	Pa×s	[265.15; 444.47]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.12118e+01
Coefficient B			1.40636e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			265.15
Temperature range, max.			444.47
η	0.0027181	Pa×s	265.15	Calculated Property
η	0.0018761	Pa×s	285.07	Calculated Property
η	0.0013593	Pa×s	305.00	Calculated Property
η	0.0010245	Pa×s	324.92	Calculated Property
η	0.0007978	Pa×s	344.85	Calculated Property
η	0.0006385	Pa×s	364.77	Calculated Property
η	0.0005229	Pa×s	384.70	Calculated Property
η	0.0004368	Pa×s	404.62	Calculated Property
η	0.0003710	Pa×s	424.55	Calculated Property
η	0.0003198	Pa×s	444.47	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[375.52; 549.31]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39451e+01
Coefficient B			-4.07901e+03
Coefficient C			-7.68560e+01
Temperature range, min.			375.52
Temperature range, max.			549.31
Pvap	1.33	kPa	375.52	Calculated Property
Pvap	3.06	kPa	394.83	Calculated Property
Pvap	6.37	kPa	414.14	Calculated Property
Pvap	12.26	kPa	433.45	Calculated Property
Pvap	22.06	kPa	452.76	Calculated Property
Pvap	37.49	kPa	472.07	Calculated Property
Pvap	60.64	kPa	491.38	Calculated Property
Pvap	93.96	kPa	510.69	Calculated Property
Pvap	140.27	kPa	530.00	Calculated Property
Pvap	202.64	kPa	549.31	Calculated Property

Similar Compounds

Find more compounds similar to 1,8-Dichlorooctane.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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