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.

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Physical Properties

Property	Value	Unit	Source
ω	0.5492		Relay (1.0) Calculated Property
Δ_fG°	21.39	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-290.63	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	25.85	kJ/mol	Joback Calculated Property
Δ_vapH°	64.00 ± 0.20	kJ/mol	NIST
IE	10.15	eV	Relay (1.0) Calculated Property
log₁₀WS	-5.71		Relay (1.0) Calculated Property
logP_oct/wat	4.366		Crippen Calculated Property
McVol	164.000	ml/mol	McGowan Calculated Property
P_c	2038.23	kPa	Joback Calculated Property
I_np	[1249.60; 1275.00]
I_np	1275.00		NIST
I_np	1249.60		NIST
I_np	1254.00		NIST
I_np	1257.00		NIST
I_np	1263.00		NIST
I_np	1264.00		NIST
I_np	1256.00		NIST
I_np	1261.00		NIST
I_np	1255.00		NIST
I_np	1275.00		NIST
I_np	1249.60		NIST
I_np	1257.00		NIST
I	[1452.00; 1474.00]
I	1452.00		NIST
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
T_boil	[495.65; 496.60]	K
T_boil	496.60	K	NIST
T_boil	495.65 ± 1.50	K	NIST
T_boil	496.40 ± 1.50	K	NIST
T_c	678.12	K	Relay (1.0) Calculated Property
T_fus	255.35	K	Relay (1.0) Calculated Property
V_c	0.650	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,liquid	[328.57; 362.49]	J/mol×K	[284.15; 353.15]

C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
C_p,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
Δ_vapH	[54.40; 56.20]	kJ/mol	[429.00; 454.50]
Δ_vapH	56.20	kJ/mol	429.00	NIST
Δ_vapH	54.40	kJ/mol	454.50	NIST
ρ_l	[764.60; 899.90]	kg/m³	[253.15; 423.15]

ρ_l	899.90	kg/m³	253.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρ_l	892.30	kg/m³	263.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρ_l	884.20	kg/m³	273.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρ_l	876.80	kg/m³	283.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρ_l	868.90	kg/m³	293.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρ_l	865.00	kg/m³	298.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρ_l	845.60	kg/m³	323.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρ_l	830.00	kg/m³	343.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρ_l	814.20	kg/m³	363.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρ_l	789.50	kg/m³	393.15	Density of Some 1-Chloroalkanes within the Temperature Range from (253.15 to 423.15) K
ρ_l	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
C_p,gas	[231.02; 543.51]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is C_p,gas in J/mol×K, T in K
Coefficient A			6.68900e+00
Coefficient B			9.60620e-01
Coefficient C			-5.40600e-04
Coefficient D			1.16800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00

C_p,gas	231.02	J/mol×K	273.00	Calculated Property
C_p,gas	284.05	J/mol×K	353.78	Calculated Property
C_p,gas	331.63	J/mol×K	434.56	Calculated Property
C_p,gas	374.15	J/mol×K	515.33	Calculated Property
C_p,gas	411.97	J/mol×K	596.11	Calculated Property
C_p,gas	445.45	J/mol×K	676.89	Calculated Property
C_p,gas	474.98	J/mol×K	757.67	Calculated Property
C_p,gas	500.92	J/mol×K	838.44	Calculated Property
C_p,gas	523.64	J/mol×K	919.22	Calculated Property
C_p,gas	543.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0053737; 0.0002895]	Pa×s	[232.38; 444.27]	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			-1.13514e+01
Coefficient B			1.42336e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			232.38
Temperature range, max.			444.27

η	0.0053737	Pa×s	232.38	Calculated Property
η	0.0030589	Pa×s	255.92	Calculated Property
η	0.0019146	Pa×s	279.47	Calculated Property
η	0.0012889	Pa×s	303.01	Calculated Property
η	0.0009186	Pa×s	326.55	Calculated Property
η	0.0006853	Pa×s	350.09	Calculated Property
η	0.0005304	Pa×s	373.64	Calculated Property
η	0.0004232	Pa×s	397.18	Calculated Property
η	0.0003463	Pa×s	420.72	Calculated Property
η	0.0002895	Pa×s	444.27	Calculated Property

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.64]	kPa	[380.22; 523.56]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is P_vap in kPa, T in K
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

P_vap	1.33	kPa	380.22	Calculated Property
P_vap	2.92	kPa	396.15	Calculated Property
P_vap	5.92	kPa	412.07	Calculated Property
P_vap	11.27	kPa	428.00	Calculated Property
P_vap	20.27	kPa	443.93	Calculated Property
P_vap	34.70	kPa	459.85	Calculated Property
P_vap	56.89	kPa	475.78	Calculated Property
P_vap	89.77	kPa	491.71	Calculated Property
P_vap	136.94	kPa	507.63	Calculated Property
P_vap	202.64	kPa	523.56	Calculated Property
P_vap	[0.73; 100.80]	kPa	[359.30; 498.80]	NIST
Equation			ln(Y) = A + B/(T + C) Y is P_vap in kPa, T in K
Coefficient A			1.40840e+01
Coefficient B			-3.86096e+03
Coefficient C			-9.11330e+01
Reference			Kemme and Kreps, 1969
Temperature range, min.			359.30
Temperature range, max.			498.80

P_vap	0.73	kPa	359.30	Calculated Property
P_vap	1.61	kPa	374.80	Calculated Property
P_vap	3.25	kPa	390.30	Calculated Property
P_vap	6.14	kPa	405.80	Calculated Property
P_vap	10.91	kPa	421.30	Calculated Property
P_vap	18.44	kPa	436.80	Calculated Property
P_vap	29.78	kPa	452.30	Calculated Property
P_vap	46.23	kPa	467.80	Calculated Property
P_vap	69.33	kPa	483.30	Calculated Property
P_vap	100.80	kPa	498.80	Calculated Property

Similar Compounds

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

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

Physical Properties

Temperature Dependent Properties

Correlations

Similar Compounds

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