Chemical Properties of 1,2-dichloroheptane (CAS 10575-87-8)

InChI

InChI=1S/C7H14Cl2/c1-2-3-4-5-7(9)6-8/h7H,2-6H2,1H3

InChI Key

WBCSJABQCRFUCP-UHFFFAOYSA-N

Formula

C7H14Cl2

SMILES

CCCCCC(Cl)CCl

Molecular Weight¹

169.09

CAS

10575-87-8

• 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 : 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	0.4148		Relay (1.0) Calculated Property
ΔfG°	-18.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-242.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.76	kJ/mol	Joback Calculated Property
ΔvapH°	53.20	kJ/mol	NIST
IE	10.32	eV	Relay (1.0) Calculated Property
log10WS	-4.08		Relay (1.0) Calculated Property
logPoct/wat	3.413		Crippen Calculated Property
McVol	133.970	ml/mol	McGowan Calculated Property
Pc	2613.74	kPa	Joback Calculated Property
I	[1366.00; 1366.00]
I	1366.00		NIST
I	1366.00		NIST
Tboil	453.08	K	Relay (1.0) Calculated Property
Tc	657.02	K	Relay (1.0) Calculated Property
Tfus	237.40	K	Relay (1.0) Calculated Property
Vc	0.492	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[251.14; 313.66]	J/mol×K	[433.98; 616.82]
Cp,gas	251.14	J/mol×K	433.98	Joback Calculated Property
Cp,gas	262.79	J/mol×K	464.45	Joback Calculated Property
Cp,gas	273.93	J/mol×K	494.93	Joback Calculated Property
Cp,gas	284.57	J/mol×K	525.40	Joback Calculated Property
Cp,gas	294.73	J/mol×K	555.87	Joback Calculated Property
Cp,gas	304.42	J/mol×K	586.35	Joback Calculated Property
Cp,gas	313.66	J/mol×K	616.82	Joback Calculated Property
η	[0.0002988; 0.0074245]	Pa×s	[213.49; 433.98]
η	0.0074245	Pa×s	213.49	Joback Calculated Property
η	0.0029334	Pa×s	250.24	Joback Calculated Property
η	0.0014701	Pa×s	286.99	Joback Calculated Property
η	0.0008619	Pa×s	323.74	Joback Calculated Property
η	0.0005634	Pa×s	360.48	Joback Calculated Property
η	0.0003984	Pa×s	397.23	Joback Calculated Property
η	0.0002988	Pa×s	433.98	Joback Calculated Property
ΔvapH	49.00	kJ/mol	409.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[348.92; 502.67]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44465e+01
Coefficient B			-3.95841e+03
Coefficient C			-6.93500e+01
Temperature range, min.			348.92
Temperature range, max.			502.67
Pvap	1.33	kPa	348.92	Calculated Property
Pvap	3.01	kPa	366.00	Calculated Property
Pvap	6.23	kPa	383.09	Calculated Property
Pvap	11.95	kPa	400.17	Calculated Property
Pvap	21.51	kPa	417.25	Calculated Property
Pvap	36.64	kPa	434.34	Calculated Property
Pvap	59.51	kPa	451.42	Calculated Property
Pvap	92.71	kPa	468.50	Calculated Property
Pvap	139.28	kPa	485.59	Calculated Property
Pvap	202.64	kPa	502.67	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-dichloroheptane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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