Chemical Properties of Propane, 1,1,1-trichloro- (CAS 7789-89-1)

InChI

InChI=1S/C3H5Cl3/c1-2-3(4,5)6/h2H2,1H3

InChI Key

AVGQTJUPLKNPQP-UHFFFAOYSA-N

Formula

C3H5Cl3

SMILES

CCC(Cl)(Cl)Cl

Molecular Weight¹

147.43

CAS

7789-89-1

Other Names

• 1,1,1-Trichloropropane

• 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).
• 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
ΔfG°	-58.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-161.22	kJ/mol	Joback Calculated Property
ΔfusH°	8.70	kJ/mol	Joback Calculated Property
ΔvapH°	34.13	kJ/mol	Joback Calculated Property
log10WS	-2.64		Crippen Calculated Property
logPoct/wat	2.767		Crippen Calculated Property
McVol	89.850	ml/mol	McGowan Calculated Property
Pc	3916.03	kPa	Joback Calculated Property
Inp	[736.00; 736.00]
Inp	736.00		NIST
Inp	736.00		NIST
Tboil	[378.00; 420.65]	K
Tboil	381.20	K	NIST
Tboil	378.00 ± 3.00	K	NIST
Tboil	380.65 ± 3.00	K	NIST
Tboil	379.65 ± 4.00	K	NIST
Tboil	420.65	K	NIST
Tboil	420.65	K	NIST
Tc	582.27	K	Joback Calculated Property
Tfus	215.75	K	Joback Calculated Property
Vc	0.340	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[132.07; 165.76]	J/mol×K	[377.10; 582.27]
Cp,gas	132.07	J/mol×K	377.10	Joback Calculated Property
Cp,gas	138.87	J/mol×K	411.29	Joback Calculated Property
Cp,gas	145.16	J/mol×K	445.49	Joback Calculated Property
Cp,gas	150.97	J/mol×K	479.68	Joback Calculated Property
Cp,gas	156.31	J/mol×K	513.88	Joback Calculated Property
Cp,gas	161.24	J/mol×K	548.07	Joback Calculated Property
Cp,gas	165.76	J/mol×K	582.27	Joback Calculated Property
η	[0.0004581; 0.0066287]	Pa×s	[215.75; 377.10]
η	0.0066287	Pa×s	215.75	Joback Calculated Property
η	0.0033176	Pa×s	242.64	Joback Calculated Property
η	0.0019064	Pa×s	269.53	Joback Calculated Property
η	0.0012113	Pa×s	296.43	Joback Calculated Property
η	0.0008300	Pa×s	323.32	Joback Calculated Property
η	0.0006027	Pa×s	350.21	Joback Calculated Property
η	0.0004581	Pa×s	377.10	Joback Calculated Property
ΔvapH	38.80	kJ/mol	313.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[280.82; 417.68]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39107e+01
Coefficient B			-3.19144e+03
Coefficient C			-4.65540e+01
Temperature range, min.			280.82
Temperature range, max.			417.68
Pvap	1.33	kPa	280.82	Calculated Property
Pvap	3.06	kPa	296.03	Calculated Property
Pvap	6.38	kPa	311.23	Calculated Property
Pvap	12.28	kPa	326.44	Calculated Property
Pvap	22.10	kPa	341.65	Calculated Property
Pvap	37.55	kPa	356.85	Calculated Property
Pvap	60.71	kPa	372.06	Calculated Property
Pvap	94.04	kPa	387.27	Calculated Property
Pvap	140.33	kPa	402.47	Calculated Property
Pvap	202.63	kPa	417.68	Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.