Chemical Properties of Decane, 1-chloro- (CAS 1002-69-3)

InChI

InChI=1S/C10H21Cl/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3

InChI Key

ZTEHOZMYMCEYRM-UHFFFAOYSA-N

Formula

C10H21Cl

SMILES

CCCCCCCCCCCl

Molecular Weight¹

176.73

CAS

1002-69-3

Other Names

• 1-Chlorodecane
• Decyl chloride
• n-Decyl 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).
• 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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• 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	0.5492		Relay (1.0) Calculated Property
ΔfG°	21.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-290.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.85	kJ/mol	Joback Calculated Property
ΔvapH°	64.00 ± 0.20	kJ/mol	NIST
IE	10.15	eV	Relay (1.0) Calculated Property
log10WS	-5.71		Relay (1.0) Calculated Property
logPoct/wat	4.366		Crippen Calculated Property
McVol	164.000	ml/mol	McGowan Calculated Property
Pc	2038.23	kPa	Joback Calculated Property
Inp	[1249.60; 1275.00]
Inp	1275.00		NIST
Inp	1249.60		NIST
Inp	1254.00		NIST
Inp	1257.00		NIST
Inp	1263.00		NIST
Inp	1264.00		NIST
Inp	1256.00		NIST
Inp	1261.00		NIST
Inp	1255.00		NIST
Inp	1257.00		NIST
Inp	1249.60		NIST
Inp	1275.00		NIST
I	[1452.00; 1474.00]
I	1455.00		NIST
I	1459.00		NIST
I	1459.00		NIST
I	1452.00		NIST
I	1458.00		NIST
I	1469.00		NIST
I	1468.00		NIST
I	1470.00		NIST
I	1474.00		NIST
I	1474.00		NIST
I	1452.00		NIST
Tboil	[495.65; 496.60]	K
Tboil	496.60	K	NIST
Tboil	495.65 ± 1.50	K	NIST
Tboil	496.40 ± 1.50	K	NIST
Tc	673.71	K	Relay (1.0) Calculated Property
Tfus	259.69	K	Relay (1.0) Calculated Property
Vc	0.646	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[348.57; 428.35]	J/mol×K	[465.63; 634.39]
Cp,gas	348.57	J/mol×K	465.63	Joback Calculated Property
Cp,gas	363.27	J/mol×K	493.76	Joback Calculated Property
Cp,gas	377.38	J/mol×K	521.88	Joback Calculated Property
Cp,gas	390.94	J/mol×K	550.01	Joback Calculated Property
Cp,gas	403.94	J/mol×K	578.14	Joback Calculated Property
Cp,gas	416.41	J/mol×K	606.27	Joback Calculated Property
Cp,gas	428.35	J/mol×K	634.39	Joback Calculated Property
Cp,liquid	[328.57; 362.49]	J/mol×K	[284.15; 353.15]
Cp,liquid	328.57	J/mol×K	284.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	329.82	J/mol×K	286.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	331.00	J/mol×K	289.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	332.01	J/mol×K	291.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	333.14	J/mol×K	294.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	334.13	J/mol×K	296.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	335.39	J/mol×K	299.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	336.61	J/mol×K	301.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	337.47	J/mol×K	304.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	338.66	J/mol×K	306.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	339.83	J/mol×K	309.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	341.39	J/mol×K	311.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	342.42	J/mol×K	314.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	343.41	J/mol×K	316.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	345.04	J/mol×K	319.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	346.36	J/mol×K	321.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	346.99	J/mol×K	324.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	348.75	J/mol×K	326.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	350.01	J/mol×K	329.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	351.31	J/mol×K	331.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	352.76	J/mol×K	334.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	353.39	J/mol×K	336.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	355.52	J/mol×K	339.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	356.17	J/mol×K	341.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	357.74	J/mol×K	344.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	358.38	J/mol×K	346.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	359.65	J/mol×K	349.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	361.49	J/mol×K	351.65	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
Cp,liquid	362.49	J/mol×K	353.15	Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
η	[0.0002499; 0.0053737]	Pa×s	[232.38; 465.63]
η	0.0053737	Pa×s	232.38	Joback Calculated Property
η	0.0022338	Pa×s	271.25	Joback Calculated Property
η	0.0011571	Pa×s	310.13	Joback Calculated Property
η	0.0006940	Pa×s	349.00	Joback Calculated Property
η	0.0004612	Pa×s	387.88	Joback Calculated Property
η	0.0003301	Pa×s	426.75	Joback Calculated Property
η	0.0002499	Pa×s	465.63	Joback Calculated Property
ΔvapH	[54.40; 56.20]	kJ/mol	[429.00; 454.50]
ΔvapH	56.20	kJ/mol	429.00	NIST
ΔvapH	54.40	kJ/mol	454.50	NIST
ρl	[764.60; 899.90]	kg/m3	[253.15; 423.15]
ρl	899.90	kg/m3	253.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρl	892.30	kg/m3	263.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρl	884.20	kg/m3	273.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρl	876.80	kg/m3	283.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρl	868.90	kg/m3	293.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρl	865.00	kg/m3	298.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρl	845.60	kg/m3	323.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρl	830.00	kg/m3	343.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρl	814.20	kg/m3	363.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρl	789.50	kg/m3	393.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρl	764.60	kg/m3	423.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[380.22; 523.56]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.58375e+01
Coefficient B			-4.67024e+03
Coefficient C			-7.98780e+01
Temperature range, min.			380.22
Temperature range, max.			523.56
Pvap	1.33	kPa	380.22	Calculated Property
Pvap	2.92	kPa	396.15	Calculated Property
Pvap	5.92	kPa	412.07	Calculated Property
Pvap	11.27	kPa	428.00	Calculated Property
Pvap	20.27	kPa	443.93	Calculated Property
Pvap	34.70	kPa	459.85	Calculated Property
Pvap	56.89	kPa	475.78	Calculated Property
Pvap	89.77	kPa	491.71	Calculated Property
Pvap	136.94	kPa	507.63	Calculated Property
Pvap	202.64	kPa	523.56	Calculated Property

Similar Compounds

Find more compounds similar to Decane, 1-chloro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Heat Capacities of 1-chloroalkanes and 1-bromoalkanes within the temperature range from 284.15 K to 353.15 K. A group additivity and molecular connectivity analysis
• Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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