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-Chloropropane
• 2-Propyl chloride
• CHLORODIMETHYLMETHANE
• ISOPROPYL CHLORIDE
• Isoprid
• Narcosop
• SEC-PROPYL CHLORIDE
• UN 2356
• iso-C3H7Cl

• 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	kJ/mol	KDB
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. Sol...
log10WS	-1.41		Estimat...
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	Outlier 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
Tboil	308.00	K	KDB
Tc	485.00	K	KDB
Tfus	[155.85; 156.15]	K
Tfus	156.00	K	KDB
Tfus	155.85	K	Aq. Sol...
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
Cp,gas	[89.12; 122.37]	J/mol×K	[305.03; 481.02]
T(K) Ideal gas heat capacity (J/mol×K) 90 95 100 105 110 115 120 125 350 400 450
Cp,gas	89.12	J/mol×K	305.03	Joback Calculated Property
Cp,gas	95.20	J/mol×K	334.36	Joback Calculated Property
Cp,gas	101.06	J/mol×K	363.69	Joback Calculated Property
Cp,gas	106.71	J/mol×K	393.02	Joback Calculated Property
Cp,gas	112.14	J/mol×K	422.35	Joback Calculated Property
Cp,gas	117.36	J/mol×K	451.69	Joback Calculated Property
Cp,gas	122.37	J/mol×K	481.02	Joback Calculated Property
η	[0.0002551; 0.0060246]	Pa×s	[138.49; 305.03]
T(K) Dynamic viscosity (Pa×s) 0 1.00e-3 2.00e-3 3.00e-3 4.00e-3 5.00e-3 6.00e-3 150 200 250 300
η	0.0060246	Pa×s	138.49	Joback Calculated Property
η	0.0022908	Pa×s	166.25	Joback Calculated Property
η	0.0011487	Pa×s	194.00	Joback Calculated Property
η	0.0006847	Pa×s	221.76	Joback Calculated Property
η	0.0004579	Pa×s	249.52	Joback Calculated Property
η	0.0003319	Pa×s	277.27	Joback Calculated Property
η	0.0002551	Pa×s	305.03	Joback Calculated Property
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]
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 26 27 28 29 30 31 260 280 300
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
Pvap	[1.33; 210.07]	kPa	[227.37; 329.63]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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
T(K) Vapor pressure (kPa) 0 50 100 150 200 250 300
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 Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.93760e+02
Coefficient B			-9.55303e+03
Coefficient C			-2.82260e+01
Coefficient D			3.79510e-05
Temperature range, min.			155.97
Temperature range, max.			489.00
T(K) Vapor pressure (kPa) 0 1000 2000 3000 4000 5000 200 300 400
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

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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