Chemical Properties of Propane, 1,2-dichloro- (CAS 78-87-5)

InChI

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

InChI Key

KNKRKFALVUDBJE-UHFFFAOYSA-N

Formula

C3H6Cl2

SMILES

CC(Cl)CCl

Molecular Weight¹

112.99

CAS

78-87-5

Other Names

• 1,2-Dichloropropane
• Bichlorure de propylene
• CH3CHClCH2Cl
• Dichloropropane
• Dwuchloropropan
• ENT 15,406
• NCI-C55141
• NSC 1237
• Propylene chloride
• Propylene dichloride
• R 270da
• Rcra waste number U083
• «alpha»,«beta»-dichloropropane
• «alpha»,«beta»-dichloropropane

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• 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_fusH : Enthalpy of fusion 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).
• n₀ : Refractive Index.
• ρ_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• γ : Surface Tension (N/m).
• 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2400		KDB
ΔcH°liquid	-1883.20 ± 8.40	kJ/mol	NIST
μ	1.90	debye	KDB
ΔfG°	-83.15	kJ/mol	KDB
ΔfH°gas	[-166.00; -162.80]	kJ/mol
ΔfH°gas	-166.00	kJ/mol	KDB
ΔfH°gas	-162.80 ± 1.20	kJ/mol	NIST
ΔfusH°	8.40	kJ/mol	Joback Calculated Property
ΔvapH°	[36.10; 38.40]	kJ/mol
ΔvapH°	36.30 ± 0.50	kJ/mol	NIST
ΔvapH°	36.20 ± 0.10	kJ/mol	NIST
ΔvapH°	38.40 ± 0.30	kJ/mol	NIST
ΔvapH°	36.30	kJ/mol	NIST
ΔvapH°	36.10 ± 0.10	kJ/mol	NIST
IE	[10.73; 11.06]	eV
IE	10.80 ± 0.10	eV	NIST
IE	10.73	eV	NIST
IE	10.73	eV	NIST
IE	10.87 ± 0.05	eV	NIST
IE	11.06	eV	NIST
log10WS	[-1.60; -1.60]
log10WS	-1.60		Aq. Sol...
log10WS	-1.60		Estimat...
logPoct/wat	1.852		Crippen Calculated Property
McVol	77.610	ml/mol	McGowan Calculated Property
Pc	[4450.00; 4650.00]	kPa
Pc	4450.00	kPa	KDB
Pc	4650.00 ± 150.00	kPa	NIST
ρc	390.03 ± 14.69	kg/m3	NIST
Inp	[667.00; 703.00]
Inp	672.00		NIST
Inp	700.00		NIST
Inp	695.00		NIST
Inp	688.00		NIST
Inp	684.00		NIST
Inp	674.00		NIST
Inp	688.00		NIST
Inp	688.00		NIST
Inp	691.00		NIST
Inp	684.00		NIST
Inp	691.00		NIST
Inp	691.00		NIST
Inp	703.00		NIST
Inp	670.00		NIST
Inp	684.00		NIST
Inp	667.00		NIST
Inp	679.00		NIST
I	[1044.00; 1058.00]
I	1058.00		NIST
I	1044.00		NIST
Tboil	[368.75; 374.65]	K
Tboil	369.50	K	KDB
Tboil	369.60	K	NIST
Tboil	368.86 ± 0.20	K	NIST
Tboil	369.55	K	NIST
Tboil	369.15 ± 2.00	K	NIST
Tboil	369.15 ± 2.00	K	NIST
Tboil	370.55 ± 0.50	K	NIST
Tboil	371.15 ± 6.00	K	NIST
Tboil	369.15 ± 1.00	K	NIST
Tboil	369.30 ± 0.50	K	NIST
Tboil	369.70 ± 0.30	K	NIST
Tboil	369.35 ± 0.07	K	NIST
Tboil	371.15 ± 0.70	K	NIST
Tboil	369.95 ± 0.60	K	NIST
Tboil	370.20 ± 1.00	K	NIST
Tboil	369.95 ± 0.50	K	NIST
Tboil	368.75 ± 0.60	K	NIST
Tboil	370.65 ± 2.00	K	NIST
Tboil	369.95 ± 0.50	K	NIST
Tboil	369.65 ± 0.40	K	NIST
Tboil	368.80 ± 2.50	K	NIST
Tboil	369.95 ± 0.50	K	NIST
Tboil	369.97 ± 0.40	K	NIST
Tboil	Outlier 374.65 ± 6.00	K	NIST
Tc	[577.00; 578.00]	K
Tc	577.00	K	KDB
Tc	578.00 ± 3.00	K	NIST
Tfus	[172.62; 172.75]	K
Tfus	172.70	K	KDB
Tfus	172.75	K	NIST
Tfus	172.62 ± 0.02	K	NIST
Tfus	172.73 ± 0.05	K	NIST
Vc	0.226	m3/kmol	KDB
Zc	0.2096310		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[110.03; 142.30]	J/mol×K	[342.46; 529.32]
T(K) Ideal gas heat capacity (J/mol×K) 110 115 120 125 130 135 140 145 350 400 450 500
Cp,gas	110.03	J/mol×K	342.46	Joback Calculated Property
Cp,gas	116.04	J/mol×K	373.60	Joback Calculated Property
Cp,gas	121.79	J/mol×K	404.75	Joback Calculated Property
Cp,gas	127.29	J/mol×K	435.89	Joback Calculated Property
Cp,gas	132.53	J/mol×K	467.03	Joback Calculated Property
Cp,gas	137.54	J/mol×K	498.18	Joback Calculated Property
Cp,gas	142.30	J/mol×K	529.32	Joback Calculated Property
Cp,liquid	[152.99; 162.80]	J/mol×K	[268.30; 339.77]
T(K) Liquid phase heat capacity (J/mol×K) 154 156 158 160 162 280 300 320 340
Cp,liquid	153.32	J/mol×K	268.30	Heat ca...
Cp,liquid	152.99	J/mol×K	268.30	Heat ca...
Cp,liquid	154.15	J/mol×K	278.51	Heat ca...
Cp,liquid	153.90	J/mol×K	278.51	Heat ca...
Cp,liquid	155.40	J/mol×K	288.72	Heat ca...
Cp,liquid	155.15	J/mol×K	288.72	Heat ca...
Cp,liquid	154.40	J/mol×K	298.00	NIST
Cp,liquid	156.64	J/mol×K	298.93	Heat ca...
Cp,liquid	156.81	J/mol×K	298.93	Heat ca...
Cp,liquid	157.73	J/mol×K	309.14	Heat ca...
Cp,liquid	158.06	J/mol×K	309.14	Heat ca...
Cp,liquid	159.22	J/mol×K	319.35	Heat ca...
Cp,liquid	159.39	J/mol×K	319.35	Heat ca...
Cp,liquid	161.05	J/mol×K	329.56	Heat ca...
Cp,liquid	161.22	J/mol×K	329.56	Heat ca...
Cp,liquid	162.80	J/mol×K	339.77	Heat ca...
Cp,liquid	162.80	J/mol×K	339.77	Heat ca...
η	[0.0003384; 0.0063844]	Pa×s	[168.41; 342.46]
T(K) Dynamic viscosity (Pa×s) 0 1.00e-3 2.00e-3 3.00e-3 4.00e-3 5.00e-3 6.00e-3 200 250 300
η	0.0063844	Pa×s	168.41	Joback Calculated Property
η	0.0027307	Pa×s	197.42	Joback Calculated Property
η	0.0014519	Pa×s	226.43	Joback Calculated Property
η	0.0008911	Pa×s	255.44	Joback Calculated Property
η	0.0006042	Pa×s	284.44	Joback Calculated Property
η	0.0004402	Pa×s	313.45	Joback Calculated Property
η	0.0003384	Pa×s	342.46	Joback Calculated Property
ΔfusH	[6.40; 6.40]	kJ/mol	[172.70; 172.70]
ΔfusH	6.40	kJ/mol	172.70	NIST
ΔfusH	6.40	kJ/mol	172.70	NIST
ΔvapH	[31.38; 39.40]	kJ/mol	[306.00; 369.50]
ΔvapH	39.40	kJ/mol	306.00	NIST
ΔvapH	34.30	kJ/mol	330.50	NIST
ΔvapH	34.70	kJ/mol	345.00	NIST
ΔvapH	31.38	kJ/mol	369.50	KDB
Pvap	[30.14; 61.07]	kPa	[333.15; 353.15]
Pvap	30.14	kPa	333.15	Vapor-L...
Pvap	61.07	kPa	353.15	Vapor-L...
n0	[1.43653; 1.43830]		[293.10; 298.15]
n0	1.43830		293.10	Vapor-L...
n0	1.43656		298.15	Excess ...
n0	1.43656		298.15	Excess ...
n0	1.43653		298.15	Excess ...
ρl	[1149.10; 1150.00]	kg/m3	[293.00; 298.15]
ρl	1150.00	kg/m3	293.00	KDB
ρl	1149.10	kg/m3	298.15	Speed o...
γ	0.03	N/m	293.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[267.39; 395.39]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45124e+01
Coefficient B			-3.33468e+03
Coefficient C			-3.29610e+01
Temperature range, min.			267.39
Temperature range, max.			395.39
T(K) Vapor pressure (kPa) 0 50 100 150 200 300 350
Pvap	1.33	kPa	267.39	Calculated Property
Pvap	3.01	kPa	281.61	Calculated Property
Pvap	6.21	kPa	295.83	Calculated Property
Pvap	11.92	kPa	310.06	Calculated Property
Pvap	21.45	kPa	324.28	Calculated Property
Pvap	36.54	kPa	338.50	Calculated Property
Pvap	59.37	kPa	352.72	Calculated Property
Pvap	92.56	kPa	366.95	Calculated Property
Pvap	139.17	kPa	381.17	Calculated Property
Pvap	202.65	kPa	395.39	Calculated Property
Pvap	[8.27e-05; 4448.01]	kPa	[172.71; 577.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			5.79698e+01
Coefficient B			-5.98019e+03
Coefficient C			-6.37968e+00
Coefficient D			4.07190e-06
Temperature range, min.			172.71
Temperature range, max.			577.00
T(K) Vapor pressure (kPa) 0 1000 2000 3000 4000 200 300 400 500
Pvap	8.27e-05	kPa	172.71	Calculated Property
Pvap	0.03	kPa	217.63	Calculated Property
Pvap	0.94	kPa	262.55	Calculated Property
Pvap	10.59	kPa	307.47	Calculated Property
Pvap	59.75	kPa	352.39	Calculated Property
Pvap	217.13	kPa	397.32	Calculated Property
Pvap	589.68	kPa	442.24	Calculated Property
Pvap	1312.00	kPa	487.16	Calculated Property
Pvap	2538.71	kPa	532.08	Calculated Property
Pvap	4448.01	kPa	577.00	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 1,2-dichloro-.

Mixtures

• Propane, 1,2-dichloro- + Ethanol, 2-(2-propoxyethoxy)-
• Propane, 1,2-dichloro- + Ethanol, 2-(2-butoxyethoxy)-
• Propane, 1,2-dichloro- + Ethanol, 2-[2-(2-methoxyethoxy)ethoxy]-
• Propane, 1,2-dichloro- + Ethanol, 2-[2-(2-ethoxyethoxy)ethoxy]-
• Propane, 1,2-dichloro- + Ethanol, 2-[2-(2-butoxyethoxy)ethoxy]-
• Propane, 1,2-dichloro- + Acetic acid, methyl ester
• Propane, 1,2-dichloro- + Methyl propionate
• Butanoic acid, methyl ester + Propane, 1,2-dichloro-
• Acetic acid, pentyl ester + Propane, 1,2-dichloro-
• 2-Ethoxyethyl acetate + Propane, 1,2-dichloro-
• Propane, 1,2-dichloro- + 2-Butoxyethyl acetate
• Benzene + Propane, 1,2-dichloro-
• Propane, 1,2-dichloro- + Cyclohexane
• Propane, 1,2-dichloro- + Butane, 2,2-dimethyl-
• n-Hexane + Propane, 1,2-dichloro-
• Propane, 1,2-dichloro- + Heptane
• Propane, 1,2-dichloro- + 1-Propene, 1,3-dichloro-, (Z)-
• Propane, 1,2-dichloro- + Bis(2-chloroisopropyl) ether
• 2-Propanol, 1-chloro- + Propane, 1,2-dichloro-
• Propane, 1,2-dichloro- + Pyridine

Find more mixtures with Propane, 1,2-dichloro-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Excess molar volumes and excess molar enthalpies of the binary mixtures of 1,2-dichloropropane with di- and triethylene glycol mono-alkyl ethers at T=298.15K
• Excess molar volumes and excess molar enthalpies for binary mixtures of 1,2-dichloropropane with methyl ethanoate, methyl propanoate, and methyl butanoate at T = 298.15K
• Heat capacities of selected chlorohydrocarbons
• Abraham model linear free energy relationships for describing the partitioning and solubility behavior of nonelectrolyte organic solutes dissolved in pyridine at 298.15 K
• Speed of sound as a function of temperature and pressure for propane derivatives
• Abraham model correlations for describing the thermodynamic properties of solute transfer into pentyl acetate based on headspace chromatographic and solubility measurements
• Excess molar volumes and excess molar enthalpies of binary mixtures for 1,2-dichloropropane + 2-alkoxyethanol acetates at 298.15K
• The Critical Temperatures of a Number of (i) (Chloroalkane (C3 C4) + Hydrocarbon (C6 C7)) Binary Mixtures and (ii) (Aromatic Halocarbon (Chlorobenzene, Fluorobenzene, 1,2-Dichlorobenzene, or 1,3-Dichlorobenzene) + Alkane (C8)) Binary Mixtures
• Vapor-Liquid Equilibria on Seven Binary Systems: Ethylene Oxide + 2-Methylpropane; Acetophenone + Phenol; cis-1,3-Dichloropropene + 1,2-Dichloropropane; 1,5-Hexadiene + Allyl Chloride; Isopropyl Acetate + Acetonitrile; Vinyl Chloride + Methyl Chloride; and 1,4-Butanediol + c-Butyrolactone
• Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
• Vapor-Liquid Equilibria of Selected Components in Propylene Oxide Production
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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