Chemical Properties of Cyclopropylamine (CAS 765-30-0)

InChI

InChI=1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2

InChI Key

HTJDQJBWANPRPF-UHFFFAOYSA-N

Formula

C3H7N

SMILES

NC1CC1

Molecular Weight¹

57.09

CAS

765-30-0

Other Names

• Cyclopropanamine
• Aminocyclopropane

• 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).
• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	904.70	kJ/mol	NIST
BasG	869.90	kJ/mol	NIST
ΔcH°liquid	-2226.70 ± 0.42	kJ/mol	NIST
ΔfH°gas	77.07 ± 0.67	kJ/mol	NIST
ΔfH°liquid	45.81 ± 0.50	kJ/mol	NIST
ΔfusH°	6.86	kJ/mol	Joback Calculated Property
ΔvapH°	[31.30; 31.30]	kJ/mol
ΔvapH°	31.30 ± 0.42	kJ/mol	NIST
ΔvapH°	31.30	kJ/mol	NIST
ΔvapH°	31.30 ± 0.40	kJ/mol	NIST
IE	[8.80; 9.80]	eV
IE	8.80	eV	NIST
IE	8.80	eV	NIST
IE	9.80	eV	NIST
IE	9.41	eV	NIST
logPoct/wat	0.107		Crippen Calculated Property
McVol	52.250	ml/mol	McGowan Calculated Property
S°liquid	187.69	J/mol×K	NIST
Tboil	[322.65; 323.70]	K
Tboil	323.70	K	NIST
Tboil	322.65 ± 1.50	K	NIST
Tc	519.65	K	Relay (1.0) Calculated Property
Tfus	198.15	K	Relay (1.0) Calculated Property
Ttriple	[237.76; 237.76]	K
Ttriple	237.76 ± 0.02	K	NIST
Ttriple	237.76 ± 0.02	K	NIST

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[87.71; 132.26]	J/mol×K	[347.51; 546.98]
Cp,gas	87.71	J/mol×K	347.51	Joback Calculated Property
Cp,gas	96.41	J/mol×K	380.75	Joback Calculated Property
Cp,gas	104.56	J/mol×K	414.00	Joback Calculated Property
Cp,gas	112.20	J/mol×K	447.24	Joback Calculated Property
Cp,gas	119.34	J/mol×K	480.49	Joback Calculated Property
Cp,gas	126.01	J/mol×K	513.73	Joback Calculated Property
Cp,gas	132.26	J/mol×K	546.98	Joback Calculated Property
Cp,liquid	147.11	J/mol×K	298.15	NIST
ΔfusH	[13.18; 13.18]	kJ/mol	[237.80; 237.80]
ΔfusH	13.18	kJ/mol	237.80	NIST
ΔfusH	13.18	kJ/mol	237.80	NIST

Similar Compounds

Find more compounds similar to Cyclopropylamine.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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