Chemical Properties of Propane, 2-chloro- (CAS 75-29-6)

InChI

InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3

InChI Key

ULYZAYCEDJDHCC-UHFFFAOYSA-N

Formula

C3H7Cl

SMILES

CC(C)Cl

Molecular Weight¹

78.54

CAS

75-29-6

Other Names

• 2-Propyl chloride
• 2-chloropropane
• Chlorodimethylmethane
• Isoprid
• Narcosop
• UN 2356
• iso-C3H7Cl
• isopropyl chloride
• sec-Propyl chloride

• ω : Acentric Factor.
• Δ_cH°_gas : Standard gas enthalpy of combustion (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas 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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• NFPA Safety : NFPA Safety Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-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	0.2320		KDB
ΔcH°gas	-2059.60 ± 0.79	kJ/mol	NIST
ΔcH°liquid	-2028.40 ± 8.40	kJ/mol	NIST
μ	2.10	debye	KDB
ΔfG°	-62.55	kJ/mol	KDB
ΔfH°gas	[-146.50; -138.70]	kJ/mol
ΔfH°gas	-146.50	kJ/mol	KDB
ΔfH°gas	-145.00	kJ/mol	NIST
ΔfH°gas	-145.00 ± 0.92	kJ/mol	NIST
ΔfH°gas	-144.60 ± 0.85	kJ/mol	NIST
ΔfH°gas	Outlier -138.70 ± 0.59	kJ/mol	NIST
ΔfH°gas	-145.10	kJ/mol	NIST
ΔfH°gas	-145.30 ± 2.20	kJ/mol	NIST
ΔfusH°	4.20	kJ/mol	Joback Calculated Property
ΔvapH°	27.60	kJ/mol	NIST
IE	[10.75; 11.00]	eV
IE	10.78 ± 0.02	eV	NIST
IE	10.75	eV	NIST
IE	10.81	eV	NIST
IE	10.78	eV	NIST
IE	Outlier 11.00 ± 0.10	eV	NIST
IE	10.77 ± 0.03	eV	NIST
IE	10.78 ± 0.02	eV	NIST
log10WS	[-1.41; -1.41]
log10WS	-1.41		Aq. Solubility Prediction
log10WS	-1.41		Estimated Solubility
logPoct/wat	1.634		Crippen Calculated Property
McVol	65.370	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
NFPA Health	2		KDB
NFPA Safety	1		KDB
Pc	4720.00	kPa	KDB
Inp	[475.00; 507.00]
Inp	479.00		NIST
Inp	475.00		NIST
Inp	477.00		NIST
Inp	478.00		NIST
Inp	480.00		NIST
Inp	490.00		NIST
Inp	488.00		NIST
Inp	490.72		NIST
Inp	491.40		NIST
Inp	491.00		NIST
Inp	507.00		NIST
Inp	477.00		NIST
Inp	496.00		NIST
Inp	496.00		NIST
Inp	496.00		NIST
Inp	496.00		NIST
Inp	496.00		NIST
Inp	496.00		NIST
Inp	495.00		NIST
Inp	507.00		NIST
Tboil	[305.90; 309.45]	K
Tboil	308.00	K	KDB
Tboil	308.90	K	NIST
Tboil	309.45 ± 0.20	K	NIST
Tboil	308.09 ± 0.15	K	NIST
Tboil	Outlier 305.90 ± 5.00	K	NIST
Tboil	308.00 ± 2.00	K	NIST
Tboil	308.10 ± 0.50	K	NIST
Tboil	308.05 ± 0.50	K	NIST
Tboil	307.80 ± 2.00	K	NIST
Tboil	309.15 ± 0.30	K	NIST
Tboil	307.95 ± 0.20	K	NIST
Tboil	309.40 ± 0.50	K	NIST
Tc	485.00	K	KDB
Tfus	[155.85; 156.15]	K
Tfus	156.00	K	KDB
Tfus	155.85	K	Aq. Solubility Prediction
Tfus	155.97 ± 0.02	K	NIST
Tfus	156.15 ± 0.50	K	NIST
Vc	0.230	m3/kmol	KDB
Zc	0.2692100		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[7.39; 7.39]	kJ/mol	[156.00; 156.00]
ΔfusH	7.39	kJ/mol	156.00	NIST
ΔfusH	7.39	kJ/mol	156.00	NIST
ΔvapH	[26.28; 30.60]	kJ/mol	[251.50; 308.00]
ΔvapH	30.60	kJ/mol	251.50	NIST
ΔvapH	30.20	kJ/mol	274.50	NIST
ΔvapH	27.30	kJ/mol	288.00	NIST
ΔvapH	27.20 ± 0.84	kJ/mol	307.00	NIST
ΔvapH	26.28	kJ/mol	308.00	KDB
ρl	862.00	kg/m3	293.00	KDB
γ	0.02	N/m	293.20	KDB

Datasets

Mass density, kg/m3

Fixed		Measured
Pressure, kPa - Liquid	Temperature, K - Liquid	Mass density, kg/m3 - Liquid
100.00	283.15	875.68
100.00	288.15	869.67
100.00	293.15	862.78
100.00	298.15	856.08
100.00	303.15	849.46
100.00	308.15	843.35
2000.00	283.15	878.08
2000.00	288.15	872.23
2000.00	293.15	865.38
2000.00	298.15	858.81
2000.00	303.15	852.23
2000.00	308.15	846.3
5000.00	283.15	881.8
5000.00	288.15	876.01
5000.00	293.15	869.35
5000.00	298.15	862.94
5000.00	303.15	856.56
5000.00	308.15	850.7
7000.00	283.15	884.04
7000.00	288.15	878.42
7000.00	293.15	871.96
7000.00	298.15	865.59
7000.00	303.15	859.35
7000.00	308.15	853.65
10000.00	283.15	887.49
10000.00	288.15	881.91
10000.00	293.15	875.7
10000.00	298.15	869.47
10000.00	303.15	863.41
10000.00	308.15	857.84
20000.00	283.15	898.23
20000.00	288.15	893.01
20000.00	293.15	887.07
20000.00	298.15	881.27
20000.00	303.15	875.73
20000.00	308.15	870.52
30000.00	283.15	907.91
30000.00	288.15	903.04
30000.00	293.15	897.36
30000.00	298.15	891.91
30000.00	303.15	886.62
30000.00	308.15	881.67
40000.00	283.15	916.87
40000.00	288.15	912.1
40000.00	293.15	906.64
40000.00	298.15	901.57
40000.00	303.15	896.48
40000.00	308.15	891.77
50000.00	283.15	925.04
50000.00	288.15	920.44
50000.00	293.15	915.26
50000.00	298.15	910.44
50000.00	303.15	905.52
50000.00	308.15	901.08
60000.00	283.15	932.67
60000.00	288.15	928.22
60000.00	293.15	923.28
60000.00	298.15	918.62
60000.00	303.15	913.87
60000.00	308.15	909.58
65000.00	283.15	936.33
65000.00	288.15	931.95
65000.00	293.15	927.07
65000.00	298.15	922.46
65000.00	303.15	917.82
65000.00	308.15	913.53
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[82.21; 182.91]	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			1.13700e+01
Coefficient B			3.01540e-01
Coefficient C			-1.63000e-04
Coefficient D			3.30000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	82.21	J/mol×K	273.00	Calculated Property
Cp,gas	99.11	J/mol×K	353.78	Calculated Property
Cp,gas	114.33	J/mol×K	434.56	Calculated Property
Cp,gas	127.99	J/mol×K	515.33	Calculated Property
Cp,gas	140.19	J/mol×K	596.11	Calculated Property
Cp,gas	151.03	J/mol×K	676.89	Calculated Property
Cp,gas	160.62	J/mol×K	757.67	Calculated Property
Cp,gas	169.06	J/mol×K	838.44	Calculated Property
Cp,gas	176.45	J/mol×K	919.22	Calculated Property
Cp,gas	182.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031457; 0.0001953]	Pa×s	[155.99; 339.50]	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			-1.09034e+01
Coefficient B			8.02060e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			155.99
Temperature range, max.			339.50
η	0.0031457	Pa×s	155.99	Calculated Property
η	0.0017362	Pa×s	176.38	Calculated Property
η	0.0010838	Pa×s	196.77	Calculated Property
η	0.0007392	Pa×s	217.16	Calculated Property
η	0.0005383	Pa×s	237.55	Calculated Property
η	0.0004122	Pa×s	257.94	Calculated Property
η	0.0003283	Pa×s	278.33	Calculated Property
η	0.0002697	Pa×s	298.72	Calculated Property
η	0.0002271	Pa×s	319.11	Calculated Property
η	0.0001953	Pa×s	339.50	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 210.07]	kPa	[227.37; 329.63]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.38739e+01
Coefficient B			-2.34111e+03
Coefficient C			-5.50590e+01
Temperature range, min.			227.37
Temperature range, max.			329.63
Pvap	1.33	kPa	227.37	Calculated Property
Pvap	3.09	kPa	238.73	Calculated Property
Pvap	6.49	kPa	250.09	Calculated Property
Pvap	12.57	kPa	261.46	Calculated Property
Pvap	22.71	kPa	272.82	Calculated Property
Pvap	38.71	kPa	284.18	Calculated Property
Pvap	62.73	kPa	295.54	Calculated Property
Pvap	97.33	kPa	306.91	Calculated Property
Pvap	145.39	kPa	318.27	Calculated Property
Pvap	210.07	kPa	329.63	Calculated Property
Pvap	[1.12e-04; 4979.83]	kPa	[155.97; 489.00]	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			1.93760e+02
Coefficient B			-9.55303e+03
Coefficient C			-2.82260e+01
Coefficient D			3.79510e-05
Coefficient E			0.00000e+00
Temperature range, min.			155.97
Temperature range, max.			489.00
Pvap	1.12e-04	kPa	155.97	Calculated Property
Pvap	0.06	kPa	192.97	Calculated Property
Pvap	2.09	kPa	229.98	Calculated Property
Pvap	19.68	kPa	266.98	Calculated Property
Pvap	87.64	kPa	303.98	Calculated Property
Pvap	256.45	kPa	340.99	Calculated Property
Pvap	596.59	kPa	377.99	Calculated Property
Pvap	1239.16	kPa	414.99	Calculated Property
Pvap	2473.54	kPa	452.00	Calculated Property
Pvap	4979.83	kPa	489.00	Calculated Property
Pvap	[0.13; 101.47]	kPa	[194.30; 309.70]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.33998e+01
Coefficient B			-2.35375e+03
Coefficient C			-4.16190e+01
Reference			Stull, 1947
Temperature range, min.			194.30
Temperature range, max.			309.70
Pvap	0.13	kPa	194.30	Calculated Property
Pvap	0.44	kPa	207.12	Calculated Property
Pvap	1.22	kPa	219.94	Calculated Property
Pvap	2.96	kPa	232.77	Calculated Property
Pvap	6.42	kPa	245.59	Calculated Property
Pvap	12.71	kPa	258.41	Calculated Property
Pvap	23.31	kPa	271.23	Calculated Property
Pvap	40.09	kPa	284.06	Calculated Property
Pvap	65.28	kPa	296.88	Calculated Property
Pvap	101.47	kPa	309.70	Calculated Property
Pvap	[25.36; 83.55]	kPa	[273.00; 303.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.60633e+01
Coefficient B			-3.75713e+03
Coefficient C			1.98360e+01
Reference			Rex, 1906
Temperature range, min.			273.00
Temperature range, max.			303.00
Pvap	25.36	kPa	273.00	Calculated Property
Pvap	29.30	kPa	276.33	Calculated Property
Pvap	33.74	kPa	279.67	Calculated Property
Pvap	38.74	kPa	283.00	Calculated Property
Pvap	44.34	kPa	286.33	Calculated Property
Pvap	50.61	kPa	289.67	Calculated Property
Pvap	57.59	kPa	293.00	Calculated Property
Pvap	65.37	kPa	296.33	Calculated Property
Pvap	73.99	kPa	299.67	Calculated Property
Pvap	83.55	kPa	303.00	Calculated Property
Pvap	[25.36; 83.55]	kPa	[273.00; 303.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.60633e+01
Coefficient B			-3.75713e+03
Coefficient C			1.98360e+01
Reference			Rex, 1906, 2
Temperature range, min.			273.00
Temperature range, max.			303.00
Pvap	25.36	kPa	273.00	Calculated Property
Pvap	29.30	kPa	276.33	Calculated Property
Pvap	33.74	kPa	279.67	Calculated Property
Pvap	38.74	kPa	283.00	Calculated Property
Pvap	44.34	kPa	286.33	Calculated Property
Pvap	50.61	kPa	289.67	Calculated Property
Pvap	57.59	kPa	293.00	Calculated Property
Pvap	65.37	kPa	296.33	Calculated Property
Pvap	73.99	kPa	299.67	Calculated Property
Pvap	83.55	kPa	303.00	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 2-chloro-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Volumetric Properties of Short-Chain Chloroalkanes
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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