Chemical Properties of Propane, 1,1-dichloro- (CAS 78-99-9)

InChI

InChI=1S/C3H6Cl2/c1-2-3(4)5/h3H,2H2,1H3

InChI Key

WIHMGGWNMISDNJ-UHFFFAOYSA-N

Formula

C3H6Cl2

SMILES

CCC(Cl)Cl

Molecular Weight¹

112.99

CAS

78-99-9

Other Names

• 1,1-dichloropropane
• propylidene chloride

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• 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_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	0.2385		Relay (1.0) Calculated Property
ΔfG°	-51.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-145.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.40	kJ/mol	Joback Calculated Property
ΔvapH°	[35.20; 35.20]	kJ/mol
ΔvapH°	35.20 ± 0.40	kJ/mol	NIST
ΔvapH°	35.20	kJ/mol	NIST
IE	10.82	eV	Relay (1.0) Calculated Property
log10WS	-1.78		Relay (1.0) Calculated Property
logPoct/wat	2.200		Crippen Calculated Property
McVol	77.610	ml/mol	McGowan Calculated Property
Pc	4046.64	kPa	Joback Calculated Property
Inp	[668.00; 686.00]
Inp	686.00		NIST
Inp	668.00		NIST
Inp	668.00		NIST
Inp	668.00		NIST
Inp	686.00		NIST
Tboil	[351.00; 363.15]	K
Tboil	361.30	K	NIST
Tboil	361.25 ± 0.50	K	NIST
Tboil	351.00 ± 3.00	K	NIST
Tboil	363.15 ± 1.00	K	NIST
Tboil	360.00 ± 2.00	K	NIST
Tc	546.09	K	Relay (1.0) Calculated Property
Tfus	161.94	K	Relay (1.0) Calculated Property
Vc	0.284	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[148.83; 159.31]	J/mol×K	[268.30; 339.77]
Cp,liquid	148.83	J/mol×K	268.30	Heat capacities of selected chlorohydrocarbons
Cp,liquid	149.66	J/mol×K	268.30	Heat capacities of selected chlorohydrocarbons
Cp,liquid	149.49	J/mol×K	268.31	Heat capacities of selected chlorohydrocarbons
Cp,liquid	150.33	J/mol×K	278.51	Heat capacities of selected chlorohydrocarbons
Cp,liquid	150.24	J/mol×K	278.51	Heat capacities of selected chlorohydrocarbons
Cp,liquid	149.99	J/mol×K	278.51	Heat capacities of selected chlorohydrocarbons
Cp,liquid	151.82	J/mol×K	288.72	Heat capacities of selected chlorohydrocarbons
Cp,liquid	151.99	J/mol×K	288.72	Heat capacities of selected chlorohydrocarbons
Cp,liquid	152.40	J/mol×K	288.72	Heat capacities of selected chlorohydrocarbons
Cp,liquid	152.82	J/mol×K	298.93	Heat capacities of selected chlorohydrocarbons
Cp,liquid	152.82	J/mol×K	298.93	Heat capacities of selected chlorohydrocarbons
Cp,liquid	153.65	J/mol×K	298.93	Heat capacities of selected chlorohydrocarbons
Cp,liquid	155.23	J/mol×K	309.14	Heat capacities of selected chlorohydrocarbons
Cp,liquid	154.57	J/mol×K	309.14	Heat capacities of selected chlorohydrocarbons
Cp,liquid	154.15	J/mol×K	309.14	Heat capacities of selected chlorohydrocarbons
Cp,liquid	155.90	J/mol×K	319.35	Heat capacities of selected chlorohydrocarbons
Cp,liquid	157.73	J/mol×K	319.35	Heat capacities of selected chlorohydrocarbons
Cp,liquid	155.56	J/mol×K	319.35	Heat capacities of selected chlorohydrocarbons
Cp,liquid	157.23	J/mol×K	329.56	Heat capacities of selected chlorohydrocarbons
Cp,liquid	157.31	J/mol×K	329.56	Heat capacities of selected chlorohydrocarbons
Cp,liquid	157.64	J/mol×K	329.56	Heat capacities of selected chlorohydrocarbons
Cp,liquid	158.97	J/mol×K	339.77	Heat capacities of selected chlorohydrocarbons
Cp,liquid	159.06	J/mol×K	339.77	Heat capacities of selected chlorohydrocarbons
Cp,liquid	159.31	J/mol×K	339.77	Heat capacities of selected chlorohydrocarbons

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[95.62; 191.18]	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			2.42610e+01
Coefficient B			3.08320e-01
Coefficient C			-1.83400e-04
Coefficient D			4.20000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	95.62	J/mol×K	273.00	Calculated Property
Cp,gas	112.24	J/mol×K	353.78	Calculated Property
Cp,gas	127.06	J/mol×K	434.56	Calculated Property
Cp,gas	140.19	J/mol×K	515.33	Calculated Property
Cp,gas	151.78	J/mol×K	596.11	Calculated Property
Cp,gas	161.96	J/mol×K	676.89	Calculated Property
Cp,gas	170.85	J/mol×K	757.67	Calculated Property
Cp,gas	178.60	J/mol×K	838.44	Calculated Property
Cp,gas	185.33	J/mol×K	919.22	Calculated Property
Cp,gas	191.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0063844; 0.0002724]	Pa×s	[168.41; 370.74]	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			-1.08337e+01
Coefficient B			9.73380e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			168.41
Temperature range, max.			370.74
η	0.0063844	Pa×s	168.41	Calculated Property
η	0.0032322	Pa×s	190.89	Calculated Property
η	0.0018887	Pa×s	213.37	Calculated Property
η	0.0012227	Pa×s	235.85	Calculated Property
η	0.0008538	Pa×s	258.33	Calculated Property
η	0.0006315	Pa×s	280.82	Calculated Property
η	0.0004884	Pa×s	303.30	Calculated Property
η	0.0003914	Pa×s	325.78	Calculated Property
η	0.0003227	Pa×s	348.26	Calculated Property
η	0.0002724	Pa×s	370.74	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[263.27; 385.75]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.43093e+01
Coefficient B			-3.07582e+03
Coefficient C			-4.39110e+01
Temperature range, min.			263.27
Temperature range, max.			385.75
Pvap	1.33	kPa	263.27	Calculated Property
Pvap	3.02	kPa	276.88	Calculated Property
Pvap	6.27	kPa	290.49	Calculated Property
Pvap	12.03	kPa	304.10	Calculated Property
Pvap	21.66	kPa	317.71	Calculated Property
Pvap	36.86	kPa	331.31	Calculated Property
Pvap	59.80	kPa	344.92	Calculated Property
Pvap	93.04	kPa	358.53	Calculated Property
Pvap	139.55	kPa	372.14	Calculated Property
Pvap	202.65	kPa	385.75	Calculated Property
Pvap	[4.53e-03; 4238.79]	kPa	[200.00; 560.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			7.65115e+01
Coefficient B			-6.65889e+03
Coefficient C			-9.22649e+00
Coefficient D			6.74782e-06
Coefficient E			0.00000e+00
Temperature range, min.			200.00
Temperature range, max.			560.00
Pvap	4.53e-03	kPa	200.00	Calculated Property
Pvap	0.24	kPa	240.00	Calculated Property
Pvap	3.56	kPa	280.00	Calculated Property
Pvap	23.86	kPa	320.00	Calculated Property
Pvap	97.61	kPa	360.00	Calculated Property
Pvap	288.21	kPa	400.00	Calculated Property
Pvap	681.58	kPa	440.00	Calculated Property
Pvap	1381.70	kPa	480.00	Calculated Property
Pvap	2513.92	kPa	520.00	Calculated Property
Pvap	4238.79	kPa	560.00	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 1,1-dichloro-.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Heat capacities of selected chlorohydrocarbons
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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