Chemical Properties of Trimethylene oxide (CAS 503-30-0)

InChI

InChI=1S/C3H6O/c1-2-4-3-1/h1-3H2

InChI Key

AHHWIHXENZJRFG-UHFFFAOYSA-N

Formula

C3H6O

SMILES

C1COC1

Molecular Weight¹

58.08

CAS

503-30-0

Other Names

• 1,2-epoxypropane
• 1,3-EPOXYPROPANE
• 1,3-Propylene oxide
• 1,3-Trimethylene oxide
• CYCLOOXABUTANE
• NSC 30086
• Oxacyclobutane
• Oxetan
• Oxetane
• Propane, 1,3-epoxy-
• Trimethylenoxid
• «alpha»,«gamma»-Propane oxide
• «alpha»,«gamma»-Propane oxide

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_gas : Standard gas 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).
• 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).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-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
PAff	801.30	kJ/mol	NIST
BasG	773.90	kJ/mol	NIST
ΔcH°gas	-1957.50 ± 0.59	kJ/mol	NIST
ΔfG°	-55.38	kJ/mol	Joback Calculated Property
ΔfH°gas	[-80.54; -80.54]	kJ/mol
ΔfH°gas	-80.54	kJ/mol	NIST
ΔfH°gas	-80.54 ± 0.63	kJ/mol	NIST
ΔfusH°	6.47	kJ/mol	Joback Calculated Property
ΔvapH°	[29.80; 30.21]	kJ/mol
ΔvapH°	30.21	kJ/mol	NIST
ΔvapH°	29.80	kJ/mol	NIST
IE	[9.60; 9.68]	eV
IE	9.65 ± 0.01	eV	NIST
IE	9.65	eV	NIST
IE	9.64 ± 0.05	eV	NIST
IE	9.60	eV	NIST
IE	9.63	eV	NIST
IE	9.67 ± 0.01	eV	NIST
IE	9.68	eV	NIST
log10WS	-0.06		Crippen Calculated Property
logPoct/wat	0.407		Crippen Calculated Property
McVol	48.140	ml/mol	McGowan Calculated Property
Pc	5678.82	kPa	Joback Calculated Property
Inp	[539.00; 553.00]
Inp	539.00		NIST
Inp	544.00		NIST
Inp	543.00		NIST
Inp	542.00		NIST
Inp	Outlier 553.00		NIST
Inp	542.00		NIST
Tboil	[320.70; 323.20]	K
Tboil	323.20	K	NIST
Tboil	320.70	K	NIST
Tboil	320.80	K	NIST
Tboil	321.65 ± 0.50	K	NIST
Tboil	320.90 ± 1.00	K	NIST
Tc	507.90	K	NIST
Tfus	176.15 ± 1.00	K	NIST
Vc	0.174	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[61.20; 108.65]	J/mol×K	[298.15; 523.15]
T(K) Ideal gas heat capacity (J/mol×K) 60 70 80 90 100 110 300 400 500
Cp,gas	61.20 ± 0.12	J/mol×K	298.15	NIST
Cp,gas	66.66 ± 0.13	J/mol×K	323.15	NIST
Cp,gas	72.18 ± 0.14	J/mol×K	348.15	NIST
Cp,gas	77.84 ± 0.15	J/mol×K	373.15	NIST
Cp,gas	83.34 ± 0.17	J/mol×K	398.15	NIST
Cp,gas	88.72 ± 0.18	J/mol×K	423.15	NIST
Cp,gas	94.05 ± 0.19	J/mol×K	448.15	NIST
Cp,gas	99.08 ± 0.20	J/mol×K	473.15	NIST
Cp,gas	103.93 ± 0.21	J/mol×K	498.15	NIST
Cp,gas	108.65 ± 0.22	J/mol×K	523.15	NIST
Cp,liquid	99.60	J/mol×K	298.00	NIST
η	[0.0003273; 0.0025925]	Pa×s	[168.80; 310.67]
T(K) Dynamic viscosity (Pa×s) 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 200 250 300
η	0.0025925	Pa×s	168.80	Joback Calculated Property
η	0.0014856	Pa×s	192.44	Joback Calculated Property
η	0.0009616	Pa×s	216.09	Joback Calculated Property
η	0.0006782	Pa×s	239.73	Joback Calculated Property
η	0.0005092	Pa×s	263.38	Joback Calculated Property
η	0.0004009	Pa×s	287.02	Joback Calculated Property
η	0.0003273	Pa×s	310.67	Joback Calculated Property
ΔfusH	6.27	kJ/mol	177.50	NIST
ΔvapH	28.67	kJ/mol	320.80	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[233.14; 345.69]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42723e+01
Coefficient B			-2.80745e+03
Coefficient C			-3.23930e+01
Temperature range, min.			233.14
Temperature range, max.			345.69
T(K) Vapor pressure (kPa) 0 50 100 150 200 250 300
Pvap	1.33	kPa	233.14	Calculated Property
Pvap	3.03	kPa	245.65	Calculated Property
Pvap	6.28	kPa	258.15	Calculated Property
Pvap	12.05	kPa	270.66	Calculated Property
Pvap	21.69	kPa	283.16	Calculated Property
Pvap	36.92	kPa	295.67	Calculated Property
Pvap	59.88	kPa	308.17	Calculated Property
Pvap	93.12	kPa	320.68	Calculated Property
Pvap	139.60	kPa	333.18	Calculated Property
Pvap	202.62	kPa	345.69	Calculated Property
Pvap	[1.05; 5672.67]	kPa	[230.00; 520.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			5.48554e+01
Coefficient B			-5.14105e+03
Coefficient C			-6.01475e+00
Coefficient D			4.77029e-06
Temperature range, min.			230.00
Temperature range, max.			520.00
T(K) Vapor pressure (kPa) 0 1000 2000 3000 4000 5000 6000 300 400 500
Pvap	1.05	kPa	230.00	Calculated Property
Pvap	8.01	kPa	262.22	Calculated Property
Pvap	37.13	kPa	294.44	Calculated Property
Pvap	122.42	kPa	326.67	Calculated Property
Pvap	317.36	kPa	358.89	Calculated Property
Pvap	691.15	kPa	391.11	Calculated Property
Pvap	1323.31	kPa	423.33	Calculated Property
Pvap	2300.16	kPa	455.56	Calculated Property
Pvap	3715.12	kPa	487.78	Calculated Property
Pvap	5672.67	kPa	520.00	Calculated Property

Similar Compounds

Find more compounds similar to Trimethylene oxide.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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