Chemical Properties of Propylene oxide (CAS 75-56-9)

InChI

InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3

InChI Key

GOOHAUXETOMSMM-UHFFFAOYSA-N

Formula

C3H6O

SMILES

CC1CO1

Molecular Weight¹

58.08

CAS

75-56-9

Other Names

• (.+/-.)-1,2-Epoxypropane
• (.+/-.)-Methyloxirane
• 1,2-Epoxypropane
• 1,2-Propylene oxide
• 2,3-Epoxypropane
• 2-Methyl oxirane
• 2-Methyloxiran
• 3-Methyl-1,2-epoxypropane
• AD 6
• AD 6 (suspending agent)
• DL-methyloxirane
• Epihydrin
• Epoxypropane
• Ethylene oxide, methyl-
• METHYL OXIRANE
• Methylethylene oxide
• Methyloxacyclopropane
• Methyloxirane
• NCI-C50099
• Oxirane, 2-methyl-
• Oxirane, methyl-
• Oxyde de propylene
• Propane, 1,2-epoxy-
• Propane, epoxy-
• Propene oxide
• Propylene epoxide
• UN 1280

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_fH°_liquid : Liquid phase 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).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_gas : Molar entropy at standard conditions (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (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	0.2690		KDB
PAff	803.30	kJ/mol	NIST
BasG	772.70	kJ/mol	NIST
ΔcH°liquid	[-1917.40; -1885.00]	kJ/mol
ΔcH°liquid	-1917.40 ± 1.10	kJ/mol	NIST
ΔcH°liquid	-1893.00	kJ/mol	NIST
ΔcH°liquid	-1885.00	kJ/mol	NIST
μ	2.00	debye	KDB
ΔfG°	-25.80	kJ/mol	KDB
ΔfH°gas	[-117.10; -92.82]	kJ/mol
ΔfH°gas	-92.82	kJ/mol	KDB
ΔfH°gas	-94.68 ± 0.63	kJ/mol	NIST
ΔfH°gas	-117.10	kJ/mol	NIST
ΔfH°liquid	[-145.00; -122.60]	kJ/mol
ΔfH°liquid	-122.60 ± 0.63	kJ/mol	NIST
ΔfH°liquid	-145.00	kJ/mol	NIST
ΔfusH°	9.64	kJ/mol	Joback Calculated Property
ΔvapH°	[27.90; 28.31]	kJ/mol
ΔvapH°	28.31	kJ/mol	NIST
ΔvapH°	27.90	kJ/mol	NIST
ΔvapH°	27.90	kJ/mol	NIST
ΔvapH°	27.90	kJ/mol	NIST
IE	[10.10; 10.44]	eV
IE	10.22 ± 0.02	eV	NIST
IE	10.10	eV	NIST
IE	10.22 ± 0.02	eV	NIST
IE	10.44	eV	NIST
IE	10.26	eV	NIST
log10WS	-0.59		Aq. Sol...
logPoct/wat	0.405		Crippen Calculated Property
McVol	48.140	ml/mol	McGowan Calculated Property
Pc	[4920.00; 5440.00]	kPa
Pc	4920.00	kPa	KDB
Pc	5440.00 ± 101.32	kPa	NIST
Pc	4922.84 ± 34.47	kPa	NIST
ρc	299.11 ± 5.81	kg/m3	NIST
Inp	[447.00; 477.00]
Inp	447.00		NIST
Inp	447.00		NIST
Inp	448.00		NIST
Inp	460.00		NIST
Inp	Outlier 477.00		NIST
Inp	447.00		NIST
S°gas	287.40 ± 0.84	J/mol×K	NIST
S°liquid	[194.60; 196.27]	J/mol×K
S°liquid	196.27	J/mol×K	NIST
S°liquid	194.60	J/mol×K	NIST
Tboil	[307.45; 308.20]	K
Tboil	308.00	K	KDB
Tboil	308.20	K	NIST
Tboil	307.70	K	NIST
Tboil	Outlier 307.45	K	NIST
Tboil	307.90 ± 1.00	K	NIST
Tboil	308.00 ± 1.00	K	NIST
Tboil	308.15 ± 1.50	K	NIST
Tboil	307.97 ± 0.40	K	NIST
Tc	[482.20; 488.20]	K
Tc	482.20	K	KDB
Tc	488.20 ± 5.00	K	NIST
Tc	482.30 ± 1.00	K	NIST
Tfus	[161.02; 161.25]	K
Tfus	161.18	K	Aq. Sol...
Tfus	161.22	K	KDB
Tfus	161.25	K	NIST
Tfus	161.02 ± 0.05	K	NIST
Ttriple	[161.22; 161.25]	K
Ttriple	161.22 ± 0.05	K	NIST
Ttriple	161.25 ± 0.02	K	NIST
Ttriple	161.22 ± 0.02	K	NIST
Vc	[0.186; 0.195]	m3/kmol
Vc	0.186	m3/kmol	KDB
Vc	0.195 ± 0.002	m3/kmol	NIST
Vc	0.186 ± 0.005	m3/kmol	NIST
Zc	0.2282520		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[70.70; 110.26]	J/mol×K	[301.73; 481.72]
Cp,gas	70.70	J/mol×K	301.73	Joback Calculated Property
Cp,gas	78.27	J/mol×K	331.73	Joback Calculated Property
Cp,gas	85.43	J/mol×K	361.73	Joback Calculated Property
Cp,gas	92.19	J/mol×K	391.72	Joback Calculated Property
Cp,gas	98.56	J/mol×K	421.72	Joback Calculated Property
Cp,gas	104.58	J/mol×K	451.72	Joback Calculated Property
Cp,gas	110.26	J/mol×K	481.72	Joback Calculated Property
Cp,liquid	[122.19; 125.10]	J/mol×K	[298.15; 300.00]
Cp,liquid	125.10	J/mol×K	298.15	NIST
Cp,liquid	122.19	J/mol×K	300.00	NIST
η	[0.0002360; 0.0005257]	Pa×s	[168.08; 301.73]
η	0.0005257	Pa×s	168.08	Joback Calculated Property
η	0.0004254	Pa×s	190.35	Joback Calculated Property
η	0.0003599	Pa×s	212.63	Joback Calculated Property
η	0.0003143	Pa×s	234.91	Joback Calculated Property
η	0.0002810	Pa×s	257.18	Joback Calculated Property
η	0.0002557	Pa×s	279.46	Joback Calculated Property
η	0.0002360	Pa×s	301.73	Joback Calculated Property
ΔfusH	[6.53; 6.57]	kJ/mol	[161.20; 161.30]
ΔfusH	6.53	kJ/mol	161.20	NIST
ΔfusH	6.53	kJ/mol	161.22	NIST
ΔfusH	6.57	kJ/mol	161.25	NIST
ΔfusH	6.57	kJ/mol	161.30	NIST
ΔfusH	6.57	kJ/mol	161.30	NIST
ΔvapH	[26.99; 32.90]	kJ/mol	[266.50; 318.50]
ΔvapH	31.60	kJ/mol	266.50	NIST
ΔvapH	32.90	kJ/mol	274.50	NIST
ΔvapH	30.10	kJ/mol	278.50	NIST
ΔvapH	28.20	kJ/mol	303.50	NIST
ΔvapH	26.99	kJ/mol	307.30	KDB
ΔvapH	27.35	kJ/mol	307.70	NIST
ΔvapH	28.50	kJ/mol	318.50	NIST
Pvap	[86.90; 237.88]	kPa	[303.15; 333.15]
Pvap	86.90	kPa	303.15	Isother...
Pvap	147.85	kPa	318.15	Isother...
Pvap	237.88	kPa	333.15	Isother...
ρl	829.00	kg/m3	293.00	KDB
ΔfusS	[40.52; 40.74]	J/mol×K	[161.22; 161.25]
ΔfusS	40.52	J/mol×K	161.22	NIST
ΔfusS	40.74	J/mol×K	161.25	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 211.30]	kPa	[225.32; 329.22]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39516e+01
Coefficient B			-2.40980e+03
Coefficient C			-4.89550e+01
Temperature range, min.			225.32
Temperature range, max.			329.22
Pvap	1.33	kPa	225.32	Calculated Property
Pvap	3.09	kPa	236.86	Calculated Property
Pvap	6.49	kPa	248.41	Calculated Property
Pvap	12.56	kPa	259.95	Calculated Property
Pvap	22.72	kPa	271.50	Calculated Property
Pvap	38.75	kPa	283.04	Calculated Property
Pvap	62.86	kPa	294.59	Calculated Property
Pvap	97.65	kPa	306.13	Calculated Property
Pvap	146.04	kPa	317.68	Calculated Property
Pvap	211.30	kPa	329.22	Calculated Property
Pvap	[9.58e-04; 4941.20]	kPa	[161.22; 482.25]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.12879e+01
Coefficient B			-5.89984e+03
Coefficient C			-1.02173e+01
Coefficient D			1.10873e-05
Temperature range, min.			161.22
Temperature range, max.			482.25
Pvap	9.58e-04	kPa	161.22	Calculated Property
Pvap	0.11	kPa	196.89	Calculated Property
Pvap	2.32	kPa	232.56	Calculated Property
Pvap	19.23	kPa	268.23	Calculated Property
Pvap	89.03	kPa	303.90	Calculated Property
Pvap	283.97	kPa	339.57	Calculated Property
Pvap	708.12	kPa	375.24	Calculated Property
Pvap	1496.03	kPa	410.91	Calculated Property
Pvap	2824.22	kPa	446.58	Calculated Property
Pvap	4941.20	kPa	482.25	Calculated Property

Similar Compounds

Find more compounds similar to Propylene oxide.

Mixtures

• Propylene oxide + Ethanol
• Propylene oxide + 1-Propanol
• Propylene oxide + Ethylbenzene
• Propylene oxide + Pentane, 2-methyl-
• Propylene oxide + 1-Pentene, 2-methyl-

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Effect of anion species on infinite dilution activity coefficients of epoxides in imidazolium-based ionic liquids
• Vapor-liquid equilibria of binary mixtures of propylene oxide witheither ethyl benzene, 2-methylpentane, or 2-methyl-1-pentene
• Isothermal (vapor + liquid) equilibria for the binary mixtures of (propylene oxide + ethanol) and (propylene oxide + 1-propanol) at several temperatures
• Isothermal Vapor-Liquid Equilibrium and Excess Enthalpy Data for the Binary Systems Propylene oxide + 2-Methylpentane and Difluoromethane (R32) + Pentafluoroethane (R125)
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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